Model name: model_name=MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0419338792562485
cohesive_energy=3.370440303774132
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 6.537761863868699e-23, 3.0893970945105e-19, 3.43223085065382e-19, 3.71669731202052e-19, 3.95846576609112e-19, 4.1669890550062203e-19, 4.34853168940476e-19, 4.50754772032926e-19, 4.647257522814059e-19, 4.77017651417454e-19, 4.87824332813784e-19, 4.97304411957162e-19, 5.05586062978308e-19, 5.12778233888334e-19, 5.18967442225476e-19, 5.242353989980679e-19, 5.286477934481039e-19, 5.32260701757774e-19, 5.351269957559999e-19, 5.37293138565168e-19, 5.387959802478599e-19, 5.39675575219926e-19, 5.399623648374119e-19, 5.3965314474705e-19, 5.38196766186744e-19, 5.35308041715642e-19, 5.322062277522179e-19, 5.28226420993362e-19, 5.229071945684819e-19, 5.15987393686236e-19, 5.07159400432896e-19, 4.96046703299472e-19, 4.82189477592006e-19, 4.65022154958696e-19, 4.4383497115068e-19, 4.177435246659899e-19, 3.85624689684192e-19, 3.4604451811785596e-19, 2.97152495954712e-19, 2.36527734300786e-19, 1.6096267553481e-19, 6.61503484292652e-20, -5.380381506999779e-20, -2.0710376041737598e-19, -4.0543720594023593e-19, -6.65874222150204e-19, -1.014064054780986e-18, -1.489963386907908e-18, -2.15842031779212e-18, -3.1302045333784797e-18, -4.6072031069640596e-18, -6.989223195797219e-18, -1.116234858731166e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.010398516587853339
Energy: 0.3129564916152043
Energy: 0.010920397196942194
Energy: 0.012098350356298323
Energy: 0.30440367898357085
Energy: 0.01072866794318822
Energy: 0.31295648738180337
Energy: 0.08345570645420024
Energy: 0.08763372043898321
Energy: 0.08513177839972492
Energy: 0.08932712426187453
Energy: 0.08369338224271018
Energy: 0.010920397196942194
Energy: 0.08763372044143602
Energy: 0.08279923496898738
Energy: 0.010959594574832785
Energy: 0.09126631786881761
Energy: 0.07611548350647453
Energy: 0.012098350356772163
Energy: 0.08513177840095132
Energy: 0.010959594574832785
Energy: 0.010608961897164352
Energy: 0.09205923481008954
Energy: 0.010773555648384682
Energy: 0.3044036779702773
Energy: 0.08932712426064812
Energy: 0.09126631787494968
Energy: 0.09205923481719713
Energy: 0.10205882214986632
Energy: 0.10534276898668356
Energy: 0.010728667942686506
Energy: 0.08369338224321189
Energy: 0.07611548350572195
Energy: 0.010773555648161699
Energy: 0.10534276898593099
Energy: 0.011059726220450523

minimum gb energy = 0.010398516587853339 eV
minimum distance =  2.84989123118096 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 0.8734646221569606
Energy: 0.9164513456323689
Energy: 0.7251250656205318
Energy: 0.7529553544120346
Energy: 1.0040770683047333
Energy: 0.802606540034567
Energy: 0.7497874220285015
Energy: 0.5649414585143088
Energy: 0.5879117250907347
Energy: 0.6416905998554976
Energy: 0.5646566698203335
Energy: 0.6118985630072163
Energy: 0.8227215128864184
Energy: 0.5887768744735979
Energy: 0.5752531966260673
Energy: 0.6802916819432362
Energy: 0.594457448319384
Energy: 0.588511746647803
Energy: 0.774010052103985
Energy: 0.6266293504690155
Energy: 0.7068079185141557
Energy: 0.7088907568921151
Energy: 0.6029962921846268
Energy: 0.6659184329194152
Energy: 0.7683755606705618
Energy: 0.5915022382106463
Energy: 0.6206378984613438
Energy: 0.678130110197098
Energy: 0.6007361733876676
Energy: 0.6383627307373518
Energy: 0.7554150792236694
Energy: 0.6178609221792488
Energy: 0.613118657934454
Energy: 0.6727941198415647
Energy: 0.5982275803463988
Energy: 0.6386957881672308
Energy: 0.7367828573721573
Energy: 0.6777411609557075
Energy: 0.6327778844333025
Energy: 0.6545907514330346
Energy: 0.6292886643003659
Energy: 0.6339772357634396
Energy: 0.7587073417782997
Energy: 0.6319454761588941
Energy: 0.6244384251904112
Energy: 0.6107795122457629
Energy: 0.610801802331373
Energy: 0.6356027778462087
Energy: 0.6324086860838657
Energy: 0.6169994059423112
Energy: 0.63506841392753
Energy: 0.6237396423295392
Energy: 0.6347774742521896
Energy: 0.6292645111727106
Energy: 0.639824380641088
Energy: 0.6816001264516813
Energy: 0.6370287774888614
Energy: 0.5787264318349484
Energy: 0.7008526128857676
Energy: 0.6084028050426789
Energy: 0.700066067956439
Energy: 0.7069454244091359
Energy: 0.6969846428947134
Energy: 0.6515852871334701
Energy: 0.7364038061009807
Energy: 0.6897801776281892
Energy: 0.5636717804395939
Energy: 0.6482070415499269
Energy: 0.6565691768402198
Energy: 0.5653801744822148
Energy: 0.6623253531359742
Energy: 0.5955783917162506
Energy: 0.5778901835363625
Energy: 0.6340700148494717
Energy: 0.5859847520851862
Energy: 0.5676668711795476
Energy: 0.6748297107627668
Energy: 0.5903165406595176
Energy: 0.6699389258656494
Energy: 0.6786166511002121
Energy: 0.7226169461548089
Energy: 0.627405681408309
Energy: 0.7226923560553276
Energy: 0.6465751983009831
Energy: 0.6077130591575016
Energy: 0.6444607875901625
Energy: 0.600367610585348
Energy: 0.553189952893849
Energy: 0.6924756075128842
Energy: 0.596909552883096
Energy: 0.61848712801672
Energy: 0.6498849894539974
Energy: 0.6522297937218735
Energy: 0.5979608500717718
Energy: 0.6712023907262612
Energy: 0.6098022890322159
Energy: 0.7349168627007856
Energy: 0.6291785708831501
Energy: 0.655641282884359
Energy: 0.6105585092241334
Energy: 0.6569996653819709
Energy: 0.6675254300875822
Energy: 0.7234149271510948
Energy: 0.6857805859933164
Energy: 0.6514820349066328
Energy: 0.6488168230635071
Energy: 0.6552801831835875
Energy: 0.6372285216574676
Energy: 0.7136269537063444
Energy: 0.625733832228099
Energy: 0.5988823875160668
Energy: 0.6267303968088801
Energy: 0.6098705993126015
Energy: 0.6113010405983316
Energy: 0.7222640493792762
Energy: 0.5882732840505741
Energy: 0.6029937407113634
Energy: 0.675097356418347
Energy: 0.6410959585868984
Energy: 0.6429437248288322
Energy: 0.7619555790963537
Energy: 0.6869559922455598
Energy: 0.6749719549212944
Energy: 0.6748755142555936
Energy: 0.7688316382702115
Energy: 0.6908150495115375
Energy: 0.7713196975846447
Energy: 0.5867150902191839
Energy: 0.5933413808187692
Energy: 0.664259289704459
Energy: 0.5795765465730273
Energy: 0.6347309075301543
Energy: 0.7751251885931243
Energy: 0.5923076160149001
Energy: 0.6004600254388671
Energy: 0.6498188051003433
Energy: 0.5764030823627023
Energy: 0.6179083087782353

minimum gb energy = 0.553189952893849 eV
minimum distance =  2.57674244150151 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 0.9870549563215558
Energy: 0.8930231558083395
Energy: 0.7830131263721879
Energy: 0.8367748077881273
Energy: 1.0875944161147693
Energy: 0.768032387124767
Energy: 0.7715198405725531
Energy: 0.5889979829102997
Energy: 0.5793374143089115
Energy: 0.6551309347741014
Energy: 0.5915695598822062
Energy: 0.6391418527805413
Energy: 0.742666365721461
Energy: 0.5896751987982912
Energy: 0.6150974712697874
Energy: 0.6262406330758679
Energy: 0.589351618302132
Energy: 0.6625665938490544
Energy: 0.702310089940328
Energy: 0.6393526065871701
Energy: 0.6783787053967255
Energy: 0.7120582083083358
Energy: 0.6392865475302728
Energy: 0.6573293816218674
Energy: 0.6958108197998875
Energy: 0.5810372451017399
Energy: 0.5835128417085138
Energy: 0.6909340472540324
Energy: 0.5867518400496277
Energy: 0.6102759755728898
Energy: 0.7431840409628696
Energy: 0.603727660673243
Energy: 0.6390260208746003
Energy: 0.6872395285658643
Energy: 0.604515697936762
Energy: 0.6807327970310136
Energy: 0.7370418754133881
Energy: 0.6030351652763569
Energy: 0.6544512489125809
Energy: 0.6356464551272375
Energy: 0.6297913720435866
Energy: 0.6758154806635556
Energy: 0.7263879413110481
Energy: 0.6130717900480708
Energy: 0.6100074787829167
Energy: 0.6202742157276656
Energy: 0.6118463723968124
Energy: 0.5944427004671043
Energy: 0.6337511719650127
Energy: 0.6082269782903985
Energy: 0.616247356201816
Energy: 0.5982483773564653
Energy: 0.6213899666988701
Energy: 0.6346935683265098
Energy: 0.628976536890293
Energy: 0.6787257868002244
Energy: 0.6650555941693014
Energy: 0.6075969354590599
Energy: 0.7013460171688489
Energy: 0.6239208418911846
Energy: 0.6693552218979595
Energy: 0.7293918572391132
Energy: 0.757881290463545
Energy: 0.7007910844479269
Energy: 0.8016111901740289
Energy: 0.651171856493828
Energy: 0.6110540508772313
Energy: 0.6480088887210729
Energy: 0.6337094617704555
Energy: 0.5871540910568342
Energy: 0.6267298156032522
Energy: 0.6110807706795336
Energy: 0.5738269617697898
Energy: 0.6944498643983127
Energy: 0.636598177969841
Energy: 0.5955975145405461
Energy: 0.6951999188859326
Energy: 0.5923583109241227
Energy: 0.674775832395771
Energy: 0.7021217321794745
Energy: 0.6826279000810688
Energy: 0.652032866906486
Energy: 0.7226996420924994
Energy: 0.6433283064872035
Energy: 0.6674557906975105
Energy: 0.6908030107579053
Energy: 0.6577399268131005
Energy: 0.6095509146727823
Energy: 0.6855868213279396
Energy: 0.604921588247392
Energy: 0.6779543212825893
Energy: 0.6454703677059656
Energy: 0.6527440613884016
Energy: 0.5867396705199013
Energy: 0.6736610033976826
Energy: 0.5960193986668402
Energy: 0.7321594202916063
Energy: 0.688819123498731
Energy: 0.676678659483485
Energy: 0.6096133354229248
Energy: 0.7253072501064
Energy: 0.6754986444527805
Energy: 0.6729600162482208
Energy: 0.6670874046883994
Energy: 0.6514017523076404
Energy: 0.6182165674420312
Energy: 0.6053339648083457
Energy: 0.5952484523652336
Energy: 0.668838827609669
Energy: 0.5966738572798672
Energy: 0.6510999275660121
Energy: 0.6264557848523205
Energy: 0.587701150210798
Energy: 0.6100757391251356
Energy: 0.7309341507516111
Energy: 0.5967836282014259
Energy: 0.6413490283411751
Energy: 0.6458623676400712
Energy: 0.6159182070369241
Energy: 0.6442904332222135
Energy: 0.759898371809262
Energy: 0.6098412979211599
Energy: 0.5927348799593359
Energy: 0.709118121904341
Energy: 0.6955235713630941
Energy: 0.7247805639349485
Energy: 0.832733061394438
Energy: 0.6144250723362681
Energy: 0.6010777573341949
Energy: 0.672465487520856
Energy: 0.6099067462640525
Energy: 0.6158196914186715
Energy: 0.7608385411259823
Energy: 0.5761555829660188
Energy: 0.6169675760428662
Energy: 0.7203851458004281
Energy: 0.5647626112738718
Energy: 0.6349577536160789
Energy: 0.8302511637274628
Energy: 0.7407265168053048
Energy: 0.7373103364089622
Energy: 0.7236325562319273
Energy: 0.750914514748312
Energy: 0.6917415061753317
Energy: 0.7389128810584304
Energy: 0.5926434039242339
Energy: 0.5751706281466588
Energy: 0.6789165919663651
Energy: 0.5704768031718225
Energy: 0.6325294324727739
Energy: 0.7776257350848731
Energy: 0.596961536375386
Energy: 0.6428800408455224
Energy: 0.6564801049957321
Energy: 0.6039470944454552
Energy: 0.6395055878786139
Energy: 0.7308479236296533
Energy: 0.6457585100214922
Energy: 0.6644167040651248
Energy: 0.7094484996275772
Energy: 0.6530764311390647
Energy: 0.6620015773765864
Energy: 0.7108206334980969
Energy: 0.5899819190421678
Energy: 0.6145408426888233
Energy: 0.6180779905675503
Energy: 0.6245415179230093
Energy: 0.6491478273713668
Energy: 0.6386188039378787
Energy: 0.6104030207539054
Energy: 0.6036048243049247
Energy: 0.621348533584959
Energy: 0.61664324122765
Energy: 0.5860284193460144
Energy: 0.623205901553799
Energy: 0.6847028773583909
Energy: 0.6385384946605507
Energy: 0.5907521408986786
Energy: 0.6884275647845741
Energy: 0.6362124321627957
Energy: 0.7341867246690907
Energy: 0.6832692860482775
Energy: 0.5983948943343537
Energy: 0.6967721950373623
Energy: 0.7019243330983288
Energy: 0.6092608068713817
Energy: 0.6138535258567487
Energy: 0.6657227396340692
Energy: 0.6456720705138109
Energy: 0.6138868799533816
Energy: 0.6522586818015997
Energy: 0.6140186641872106
Energy: 0.5924778841143773
Energy: 0.6514319675265489
Energy: 0.6799457941528018
Energy: 0.5677972612542554
Energy: 0.6898929897234468
Energy: 0.6493537093991507
Energy: 0.6999513918759372
Energy: 0.7061966196902245
Energy: 0.7049163153307737
Energy: 0.6844844548766209
Energy: 0.7029806234553341
Energy: 0.6789623904013589
Energy: 0.6254466409346344
Energy: 0.6399854265185955
Energy: 0.6200955292056874
Energy: 0.6153821778107819
Energy: 0.6388824000925721
Energy: 0.6400984848545058
Energy: 0.6364140040768941
Energy: 0.6379041682101186
Energy: 0.6562427799158719
Energy: 0.6106376509665377
Energy: 0.6690500380833019
Energy: 0.6385348626772414
Energy: 0.6980877322351915
Energy: 0.674096343962854
Energy: 0.6773523384485787
Energy: 0.6832048717745807
Energy: 0.7199795181811316
Energy: 0.7102760018425218
Energy: 0.6833889411134396
Energy: 0.6581556477437203
Energy: 0.6513603005484037
Energy: 0.6201504124192315
Energy: 0.6428189216982458
Energy: 0.6463541953173955
Energy: 0.6622719090638073
Energy: 0.6368370702822627
Energy: 0.6181013267127006
Energy: 0.6199064577943927
Energy: 0.6160473589756243
Energy: 0.5936488477199351
Energy: 0.7487070774600407
Energy: 0.5774178013913184
Energy: 0.6087709550767609
Energy: 0.6831990795471607
Energy: 0.6037738830505943
Energy: 0.6417318936577003
Energy: 0.7728151574189575
Energy: 0.6467363340946651
Energy: 0.6165069991114928
Energy: 0.7098464855167299
Energy: 0.6154575874028815
Energy: 0.606060893770699

minimum gb energy = 0.5647626112738718 eV
minimum distance =  2.62376061807125 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 0.9142129039110549
Energy: 0.9998963148246632
Energy: 0.8973297076453092
Energy: 0.7642215040696771
Energy: 1.15524700784153
Energy: 0.7329757799017158
Energy: 0.7103841378236951
Energy: 0.6146388361780467
Energy: 0.6144314510180564
Energy: 0.6996080303450353
Energy: 0.5934640549629202
Energy: 0.6421345411839979
Energy: 0.7721486612842666
Energy: 0.600636178188765
Energy: 0.6017309466549768
Energy: 0.7097809395019223
Energy: 0.5978644396387993
Energy: 0.6466014036844043
Energy: 0.7172483186908288
Energy: 0.6632395116273515
Energy: 0.6896514141663302
Energy: 0.7149505133834031
Energy: 0.7231139808594614
Energy: 0.6864192654402754
Energy: 0.7278944932670997
Energy: 0.6493641184837742
Energy: 0.6230799785500282
Energy: 0.661645307049967
Energy: 0.6141780932114176
Energy: 0.66096205834245
Energy: 0.6865091450671753
Energy: 0.623122195829053
Energy: 0.6454922929429092
Energy: 0.628785102742837
Energy: 0.6356036329924752
Energy: 0.6296800244444709
Energy: 0.6754328552419652
Energy: 0.6410213575873932
Energy: 0.6843193314696379
Energy: 0.6515963517307334
Energy: 0.6381034507596686
Energy: 0.6405752940914854
Energy: 0.700278307535636
Energy: 0.6419251595173011
Energy: 0.687426718785124
Energy: 0.712653621627213
Energy: 0.7338102969149551
Energy: 0.7078633206677661
Energy: 0.6077550992540542
Energy: 0.668801051677721
Energy: 0.6525432986803241
Energy: 0.5997649180906381
Energy: 0.6763972478346513
Energy: 0.6263637498117587
Energy: 0.5810410664960356
Energy: 0.6615456395127816
Energy: 0.6308520117908583
Energy: 0.5812844282529118
Energy: 0.6976433486915766
Energy: 0.6420601993964892
Energy: 0.710016073188013
Energy: 0.7505432243430483
Energy: 0.677818954907959
Energy: 0.7463963693886839
Energy: 0.8022056386628418
Energy: 0.7479110628035673
Energy: 0.6379904592391238
Energy: 0.6660167853021385
Energy: 0.6714285344845004
Energy: 0.5932882647292343
Energy: 0.6664078776795532
Energy: 0.640358496423044
Energy: 0.6156425906917466
Energy: 0.6477837045290281
Energy: 0.6355022037173566
Energy: 0.5956382782682396
Energy: 0.6749590364658029
Energy: 0.6287031808379644
Energy: 0.6515512425947805
Energy: 0.7211696504410106
Energy: 0.7122806541521849
Energy: 0.6638022309455324
Energy: 0.7414121553431815
Energy: 0.7068235440638416
Energy: 0.7238263004136652
Energy: 0.6823634349128518
Energy: 0.6664763374818294
Energy: 0.6357251870589457
Energy: 0.6472851972586167
Energy: 0.6633457133855905
Energy: 0.695441625553532
Energy: 0.6188191430686186
Energy: 0.6494052419527421
Energy: 0.6702839587401973
Energy: 0.6084976126647685
Energy: 0.6412131753665201
Energy: 0.8006158127315104
Energy: 0.6056463784449732
Energy: 0.602440994263634
Energy: 0.6779971169654513
Energy: 0.5956341403042246
Energy: 0.6247760973999048
Energy: 0.7387532438404472
Energy: 0.6675850481557762
Energy: 0.607797026099684
Energy: 0.7381481519362425
Energy: 0.6618346273712126
Energy: 0.636591473011474

minimum gb energy = 0.5810410664960356 eV
minimum distance =  2.6025328598281 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.7900437333214027
Energy: 1.301196627893001
Energy: 0.5718153207703228
Energy: 0.6923285006447663
Energy: 1.0031713699518057
Energy: 0.6516624648087911
Energy: 0.6969137073181089
Energy: 0.5867267847278397
Energy: 0.5932270751770993
Energy: 0.6561380928679117
Energy: 0.5630632290925616
Energy: 0.6321907945988887
Energy: 0.8237187375798901
Energy: 0.602295750835626
Energy: 0.652536144445186
Energy: 0.7098377292051447
Energy: 0.5798747697619544
Energy: 0.67065492488782
Energy: 0.6461379310505917
Energy: 0.6067850145377429
Energy: 0.6848027694530118
Energy: 0.6213698302478226
Energy: 0.6202799059662913
Energy: 0.6139143160934402
Energy: 0.7136540705390992
Energy: 0.6273600029106258
Energy: 0.6351740260600355
Energy: 0.6197382075235662
Energy: 0.5947134168156035
Energy: 0.6668146261880165
Energy: 0.6836140040105378
Energy: 0.5259893300115801
Energy: 0.6330022441277837
Energy: 0.6190963227508502
Energy: 0.5337104654031282
Energy: 0.5707518164526157
Energy: 0.6327556465367691
Energy: 0.6236900435145061
Energy: 0.6864150237225045
Energy: 0.6009610031117142
Energy: 0.6140418204596749
Energy: 0.6891370340510131
Energy: 0.6660263701065147
Energy: 0.6687462033678145
Energy: 0.6603100990429785
Energy: 0.6522887077274492
Energy: 0.6925264235391373
Energy: 0.592083935622125
Energy: 0.5632128808242182
Energy: 0.6713694847245946
Energy: 0.5949574559166291
Energy: 0.5908142209141145
Energy: 0.6623399822144895
Energy: 0.5932802693810908
Energy: 0.5712482075979509
Energy: 0.6767630647546683
Energy: 0.6807107979678353
Energy: 0.5621190566248465
Energy: 0.6839355578462788
Energy: 0.6293681541031492
Energy: 0.5917070783511507
Energy: 0.6171506925371663
Energy: 0.5809291371840307
Energy: 0.6729258589205966
Energy: 0.6179663188550575
Energy: 0.6410564898790401
Energy: 0.7050809843171825
Energy: 0.6690681093277577
Energy: 0.6646521511485485
Energy: 0.5897069235374561
Energy: 0.6423406800265802
Energy: 0.6477523182613789
Energy: 0.511155997306128
Energy: 0.640682729687662
Energy: 0.6066571760484186
Energy: 0.527995153963422
Energy: 0.5873210840324748
Energy: 0.6277788583794396
Energy: 0.6983407971522718
Energy: 0.6447904326187546
Energy: 0.6566546147338992
Energy: 0.6413565820925922
Energy: 0.6452467251127902
Energy: 0.6756013126150746
Energy: 0.7612904150320071
Energy: 0.6392620485991786
Energy: 0.6739137149717529
Energy: 0.6218301882706689
Energy: 0.6272063022631783
Energy: 0.575437018857571
Energy: 0.7916895753577087
Energy: 0.6945307227650626
Energy: 0.559868321012568
Energy: 0.6894264935956934
Energy: 0.6374790771505581
Energy: 0.5739629869739502
Energy: 0.7090310448154031
Energy: 0.5715308827236428
Energy: 0.5910297682106713
Energy: 0.6741863314265722
Energy: 0.5622999966275396
Energy: 0.6183650475437907
Energy: 0.6457469283742544
Energy: 0.623525746921762
Energy: 0.6123090782301795
Energy: 0.6047316459450371
Energy: 0.5993547842845397
Energy: 0.6018209071757578
Energy: 0.6641370540149678
Energy: 0.6087986732126914
Energy: 0.7014329097196601
Energy: 0.6049752554693181
Energy: 0.6036635845151407
Energy: 0.6900893583160561
Energy: 0.7101522219748988
Energy: 0.5273880321225054
Energy: 0.6413165992567171
Energy: 0.640713490834412
Energy: 0.5203321303733848
Energy: 0.6507308469643169
Energy: 0.6732018711603117
Energy: 0.6249926337266651
Energy: 0.6372731862946273
Energy: 0.6340670439528397
Energy: 0.6087294741082291
Energy: 0.6748680320646805
Energy: 0.6889307874661689
Energy: 0.675274214261118
Energy: 0.6842786966397477
Energy: 0.6208169913005773
Energy: 0.6598430218722513
Energy: 0.6606557381589488
Energy: 0.649390736708805
Energy: 0.6692593094525001
Energy: 0.6597172986195748
Energy: 0.6570945509711941
Energy: 0.6810922557511004
Energy: 0.6456695989019791
Energy: 0.5660066858800599
Energy: 0.6741854766867942
Energy: 0.6283277002343687
Energy: 0.5686685441662772
Energy: 0.6330831940741816
Energy: 0.6301080259719261
Energy: 0.5839831436621777
Energy: 0.6939028518756779
Energy: 0.6429818449498732
Energy: 0.585840199512164
Energy: 0.659502928200886
Energy: 0.6452813624446698
Energy: 0.5995463840931434
Energy: 0.6270033131598137
Energy: 0.5858313875924748
Energy: 0.680235468114061
Energy: 0.6125931213759568
Energy: 0.6287231647942985
Energy: 0.6584847878790719
Energy: 0.6405290198177109
Energy: 0.6416763814879858
Energy: 0.5761024961330774
Energy: 0.6948434583965146
Energy: 0.6464367080802423
Energy: 0.5166788974680843
Energy: 0.6302626894176026
Energy: 0.6244270508431807
Energy: 0.522178404261971
Energy: 0.6481453970946809
Energy: 0.5901893047623893
Energy: 0.719144925052655
Energy: 0.6386455152448277
Energy: 0.6748437592727355
Energy: 0.6474764163005738
Energy: 0.5624450043979048
Energy: 0.6875888195812232
Energy: 0.7125901429823949
Energy: 0.722338192890648
Energy: 0.5470115818329315
Energy: 0.6830074473831966
Energy: 0.6381024977134835
Energy: 0.6500261046357219

minimum gb energy = 0.511155997306128 eV
minimum distance =  2.55998176227903 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.6463808695921391
Energy: 1.148513409447002
Energy: 0.7303691550909158
Energy: 0.6454830905517405
Energy: 1.1610949456834785
Energy: 0.8910960838627492
Energy: 0.7616081387599617
Energy: 0.5976408916760861
Energy: 0.6225530788756065
Energy: 0.6359016909049185
Energy: 0.6177788080085495
Energy: 0.6267080436795922
Energy: 0.6803733932578017
Energy: 0.5723135356719892
Energy: 0.593865063896653
Energy: 0.6116215429328152
Energy: 0.5527892130755635
Energy: 0.6079384600335437
Energy: 0.878110579318715
Energy: 0.6138562226803744
Energy: 0.595831024065809
Energy: 0.6911907107564553
Energy: 0.6662685171188188
Energy: 0.6797837709199926
Energy: 0.6911771257481178
Energy: 0.6320496522055992
Energy: 0.6454758859021862
Energy: 0.61340614527108
Energy: 0.6425347233682944
Energy: 0.6828601995113054
Energy: 0.5772260072362712
Energy: 0.6144063513857617
Energy: 0.6147678326698515
Energy: 0.6072678164778966
Energy: 0.6102063954843194
Energy: 0.6057894197322096
Energy: 0.5664543015033228
Energy: 0.5821506219357728
Energy: 0.6010186282527098
Energy: 0.5593592863250665
Energy: 0.5796336797565527
Energy: 0.5881957904569032
Energy: 0.6705589350173856
Energy: 0.6782412211895462
Energy: 0.6775895500592898
Energy: 0.6602281011746092
Energy: 0.6784017386669886
Energy: 0.6037491642935642
Energy: 0.7065675205206712
Energy: 0.5929570714385678
Energy: 0.6537400284496151
Energy: 0.6392593579303881
Energy: 0.6734710044394255
Energy: 0.6686469769901215
Energy: 0.5265479391667961
Energy: 0.6365233706230305
Energy: 0.6526241269521935
Energy: 0.5721691182058906
Energy: 0.6114811213901271
Energy: 0.5879105219987327
Energy: 0.6247016255982635
Energy: 0.6110324894887922
Energy: 0.5819044729187894
Energy: 0.5696584465324611
Energy: 0.5830532526997276
Energy: 0.5907754299008456
Energy: 0.7417087766871805
Energy: 0.6082486301855586
Energy: 0.6063351258070301
Energy: 0.7679949152362077
Energy: 0.6091631797083085
Energy: 0.6563814065362138

minimum gb energy = 0.5265479391667961 eV
minimum distance =  2.6156973418516 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.0072556416942877
Energy: 1.1229933151687892
Energy: 0.7233606534779672
Energy: 0.8400633791804094
Energy: 1.1313927760815208
Energy: 0.821499733180797
Energy: 0.6759844814043405
Energy: 0.5686459505030541
Energy: 0.5859936432528075
Energy: 0.6504140520591181
Energy: 0.5769906099437276
Energy: 0.5809344468108654
Energy: 0.5302040678720238
Energy: 0.5060109056190998
Energy: 0.5124741825465577
Energy: 0.5593954428101215
Energy: 0.49228687662177073
Energy: 0.5932180844632542
Energy: 0.6998863072644689
Energy: 0.5330418702620537
Energy: 0.570471165261375
Energy: 0.5699811790356574
Energy: 0.5696799300803007
Energy: 0.5808192723166029
Energy: 0.7112938863325122
Energy: 0.6275899595342411
Energy: 0.656515617633217
Energy: 0.5908214806398016
Energy: 0.6308137279127729
Energy: 0.6400580884181258
Energy: 0.5906292401054137
Energy: 0.6067355044459188
Energy: 0.6563110089917759
Energy: 0.5904765035962641
Energy: 0.6162639082257579
Energy: 0.6048774748895512
Energy: 0.5467124568199911
Energy: 0.613078508690374
Energy: 0.6209414283651961
Energy: 0.5522989665357604
Energy: 0.5696091821839357
Energy: 0.584590022510801
Energy: 0.564749507452191
Energy: 0.5593820137852983
Energy: 0.6443366511636786
Energy: 0.5528866404787275
Energy: 0.5797908188891778
Energy: 0.6033364203364627
Energy: 0.7028418748356389
Energy: 0.6061656720945634
Energy: 0.6504284694731581
Energy: 0.7055669938039733
Energy: 0.591176374654635
Energy: 0.6402644008538865
Energy: 0.6694248761003485
Energy: 0.5487470673746734
Energy: 0.5948757020854469
Energy: 0.6139103685838402
Energy: 0.6474414386782751
Energy: 0.6068691396810887
Energy: 0.5736596479918459
Energy: 0.5296789538437023
Energy: 0.570919820814596
Energy: 0.5615853579668021
Energy: 0.5452218081317084
Energy: 0.59456532325106
Energy: 0.7077840884643618
Energy: 0.5756579338919968
Energy: 0.579818132881132
Energy: 0.6305212730196766
Energy: 0.5598069653933794
Energy: 0.5721095430326175
Energy: 0.923248487380533
Energy: 0.8424374869638532
Energy: 0.6999675592095554
Energy: 0.7672875871392735
Energy: 0.8861424185028786
Energy: 0.7562965633240176
Energy: 0.7036889470683352
Energy: 0.5592343604349868
Energy: 0.5797182108705101
Energy: 0.5860352257132467
Energy: 0.5442095506645553
Energy: 0.6636417845878825
Energy: 0.5446120554377877
Energy: 0.5221571359285849
Energy: 0.5494663463963475
Energy: 0.5546329170679412
Energy: 0.5320562087557438
Energy: 0.642865335663041
Energy: 0.5003552548515259
Energy: 0.5834069778942328
Energy: 0.5673487006761339
Energy: 0.5089060559329808
Energy: 0.5666570412272036
Energy: 0.5451188286779899
Energy: 0.5891451964811408
Energy: 0.6471682070010045
Energy: 0.6200126153580722
Energy: 0.600003718664558
Energy: 0.6201961178360383
Energy: 0.611602226970387
Energy: 0.6683157262100268
Energy: 0.6469297533646899
Energy: 0.5978370779481168
Energy: 0.6676411489702127
Energy: 0.6616135317073703
Energy: 0.5993492618045128
Energy: 0.5544962426553919
Energy: 0.6216805819821394
Energy: 0.5908390726023542
Energy: 0.514071712724286
Energy: 0.622858438887381
Energy: 0.5593956217147965
Energy: 0.5386042845597384
Energy: 0.5276563346505638
Energy: 0.5448804835704485
Energy: 0.527394967488601
Energy: 0.5113526003937467
Energy: 0.5661707817251349
Energy: 0.5569651990595568
Energy: 0.5193410327319802
Energy: 0.5245587951522543
Energy: 0.5290579867155035
Energy: 0.5189130046277728
Energy: 0.5738588310006284
Energy: 0.6612121052619989
Energy: 0.6326774763169717
Energy: 0.6194177634324396
Energy: 0.7077459452572343
Energy: 0.6662070625537553
Energy: 0.6145594818179763
Energy: 0.6815029603357199
Energy: 0.612473890833941
Energy: 0.6041901704719869
Energy: 0.6174132677435774
Energy: 0.5748985876236554
Energy: 0.5816608959265782
Energy: 0.5445679795191878
Energy: 0.5086016322693572
Energy: 0.523479929645347
Energy: 0.5522489956405224
Energy: 0.5014273836848268
Energy: 0.5397944333750668
Energy: 0.6769654019585484
Energy: 0.5411795520466374
Energy: 0.6061449968571501
Energy: 0.6238610479336597
Energy: 0.5648702497565947
Energy: 0.6087640545312976
Energy: 0.6640650439103349
Energy: 0.6208275501151576
Energy: 0.6514467064519457
Energy: 0.5487382789812549
Energy: 0.5637744852214285
Energy: 0.6467826436678369
Energy: 0.8686590293008979
Energy: 0.656770652872291
Energy: 0.6560968950168252
Energy: 0.679735103352501
Energy: 0.6674522756212392
Energy: 0.8163804178272475
Energy: 0.5555201770232444
Energy: 0.6564082084136166
Energy: 0.6326221343694707
Energy: 0.5569785727976574
Energy: 0.6028961127470327
Energy: 0.5663705473681407
Energy: 0.5530773219060071
Energy: 0.6216400286028754
Energy: 0.6225876862603152
Energy: 0.5416371975293717
Energy: 0.5746663009570485
Energy: 0.561565986383449
Energy: 0.6656283681963492
Energy: 0.5641952693159071
Energy: 0.6446643258736184
Energy: 0.6638758844584611
Energy: 0.5601898941647634
Energy: 0.5957074853103334
Energy: 0.4834548590656757
Energy: 0.6086805787993513
Energy: 0.609982625599984
Energy: 0.5548796315767447
Energy: 0.5711908187904033
Energy: 0.6259146288036154
Energy: 0.8148072751151433
Energy: 0.5630459249839932
Energy: 0.5725593336491098
Energy: 0.6306704585732742
Energy: 0.5474482851030488
Energy: 0.6036523015505622
Energy: 0.7152433788119689
Energy: 0.5730246800613675
Energy: 0.5560807084245869
Energy: 0.5238434379550512
Energy: 0.5582641144228397
Energy: 0.631998739150335
Energy: 0.6677987276736504
Energy: 0.5765226574668574
Energy: 0.5756071516305183
Energy: 0.6369417260090251
Energy: 0.5855648708460095
Energy: 0.5923855039972865
Energy: 0.5707597764928102
Energy: 0.601465653300332
Energy: 0.6131880200315825
Energy: 0.5812931001726348
Energy: 0.6004854150055562
Energy: 0.6124087866371072
Energy: 0.5799649004401538
Energy: 0.5380937749434062
Energy: 0.5898876378570669
Energy: 0.5840583977924011
Energy: 0.5413849912549934
Energy: 0.5797671593073335
Energy: 0.5205822210565826
Energy: 0.5575903922903792
Energy: 0.6012289365133358
Energy: 0.5203058884536508
Energy: 0.5657247959845283
Energy: 0.5098635683463995
Energy: 0.561393448198242
Energy: 0.5904253238490944
Energy: 0.5998578747310158
Energy: 0.5615834164268537
Energy: 0.5724823835027602
Energy: 0.5514348250296476
Energy: 0.6439426485462257
Energy: 0.7290429126524248
Energy: 0.7281152773401474
Energy: 0.6489107567283162
Energy: 0.7356105745105631
Energy: 0.8138848888898321
Energy: 0.619743159391968
Energy: 0.584346867091198
Energy: 0.6015269073834264
Energy: 0.5317507065640124
Energy: 0.6185721995953813
Energy: 0.6104122785376973
Energy: 0.5133601008271861
Energy: 0.5221952112432539
Energy: 0.5712102665919879
Energy: 0.505459077424787
Energy: 0.5223453110268922
Energy: 0.5191585847496544
Energy: 0.5953441700252946
Energy: 0.5351487364015549
Energy: 0.5180643114149606
Energy: 0.5499991137485251
Energy: 0.49741457907068104
Energy: 0.5752067377102331
Energy: 0.6988897615952053
Energy: 0.6005646093144569
Energy: 0.602200278535865
Energy: 0.626976958284471
Energy: 0.5887480174596151
Energy: 0.5982153996656261

minimum gb energy = 0.4834548590656757 eV
minimum distance =  2.63828459566639 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.2826934434340731
Energy: 0.7681159556458332
Energy: 0.3796208964866077
Energy: 0.274571817671505
Energy: 0.8008724361065632
Energy: 0.3257840007438784
Energy: 0.44832792810557015
Energy: 0.3875119024278457
Energy: 0.377117483245646
Energy: 0.3574165809274858
Energy: 0.3558500981997785
Energy: 0.3867687470613718
Energy: 0.3747155477237831
Energy: 0.4767942178783917
Energy: 0.4394265472752116
Energy: 0.4031345554563935
Energy: 0.34246368831627294
Energy: 0.5601323329046863
Energy: 0.4700011723834211
Energy: 0.5084900081770105
Energy: 0.5402748150955502
Energy: 0.3849653298101633
Energy: 0.40629538775589885
Energy: 0.5079060487174306
Energy: 0.40699551005794365
Energy: 0.3562218829053027
Energy: 0.3691168063428076
Energy: 0.42192201565491955
Energy: 0.3149733096653121
Energy: 0.40359236595514086
Energy: 0.4400808629470936
Energy: 0.28748989978487
Energy: 0.30941927538128977
Energy: 0.4104670084959518
Energy: 0.27807896170517693
Energy: 0.301090753394579
Energy: 0.3597422177274283
Energy: 0.3115134126534695
Energy: 0.4866539355027206
Energy: 0.38661796879076615
Energy: 0.44921696096051067
Energy: 0.3602237897909151
Energy: 0.4638274086740311
Energy: 0.4885261427845657
Energy: 0.5133969750544726
Energy: 0.4388507895849126
Energy: 0.41968528433242275
Energy: 0.4611430627558075
Energy: 0.3893090905800653
Energy: 0.38165016291944476
Energy: 0.46285518391924163
Energy: 0.4032294960779417
Energy: 0.420498303024135
Energy: 0.4324301118009199
Energy: 0.28713289121495256
Energy: 0.43238647517566015
Energy: 0.34019006234889415
Energy: 0.2894724320649295
Energy: 0.38396095848302997
Energy: 0.3590608963313363
Energy: 0.29509667385730853
Energy: 0.3867461708429565
Energy: 0.363189576260978
Energy: 0.3161168116946823
Energy: 0.3966214842748162
Energy: 0.3035912428336417
Energy: 0.3910424400297609
Energy: 0.38348648954990244
Energy: 0.4118618148785401
Energy: 0.34720737710013927
Energy: 0.3452042386854364
Energy: 0.45033497120580246
Energy: 0.9673969788526439
Energy: 0.6946524704177309
Energy: 0.710850918522908
Energy: 0.4545732666557328
Energy: 0.4873214547536626
Energy: 0.44671067962449484
Energy: 0.42215851145142613
Energy: 0.38677501897847405
Energy: 0.4104625065788897
Energy: 0.41710742636672243
Energy: 0.3451897929920495
Energy: 0.41391763643180524
Energy: 0.43460710144158626
Energy: 0.28463659218658843
Energy: 0.29596202968748325
Energy: 0.42855252634027263
Energy: 0.27428386120443143
Energy: 0.3810538121985448
Energy: 0.3754722679388372
Energy: 0.40760587178124685
Energy: 0.42889165996525186
Energy: 0.3432212994539916
Energy: 0.31938674262353256
Energy: 0.38049674051613763
Energy: 0.38907110056102473
Energy: 0.44247864491974087
Energy: 0.49424956830037375
Energy: 0.4211991375693621
Energy: 0.40714911518356217
Energy: 0.43074772767090574
Energy: 0.41619052764349795
Energy: 0.4389204747362877
Energy: 0.48956941303003204
Energy: 0.4539698742032225
Energy: 0.44186721872151236
Energy: 0.4610556835477864
Energy: 0.30319619100034384
Energy: 0.31417163731028513
Energy: 0.37566267285178995
Energy: 0.32211988229674976
Energy: 0.418028721595096
Energy: 0.3966814999710245

minimum gb energy = 0.27428386120443143 eV
minimum distance =  2.68484578075762 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.8139583383529087
Energy: 1.064272465986503
Energy: 0.7602928633662986
Energy: 0.7571356260743771
Energy: 1.0635911251558827
Energy: 0.840683577283866
Energy: 0.6031688270824589
Energy: 0.5185140052459962
Energy: 0.5478854920235187
Energy: 0.505472567990101
Energy: 0.5190146623811558
Energy: 0.5528480156313001
Energy: 0.46870128230349656
Energy: 0.5057941486152974
Energy: 0.47337593375128084
Energy: 0.4777034120544193
Energy: 0.4796384857690928
Energy: 0.5168339038157569
Energy: 0.47785284546401596
Energy: 0.5632259861069534
Energy: 0.5177366709178892
Energy: 0.4676432986411139
Energy: 0.5028608233877118
Energy: 0.5297906628607016
Energy: 0.5436125857860774
Energy: 0.5405154639259522
Energy: 0.5638664304450577
Energy: 0.5323400553583924
Energy: 0.5038347629588958
Energy: 0.6013550973648105
Energy: 0.668115504459529
Energy: 0.7647809517976583
Energy: 0.6966966167948874
Energy: 0.6667857411772865
Energy: 0.7850714297960399
Energy: 0.6185314715267157
Energy: 0.5710269947997089
Energy: 0.4685082611431692
Energy: 0.5531222257800693
Energy: 0.4926984173810651
Energy: 0.5441752242262247
Energy: 0.5431512078825068
Energy: 0.4963713667959868
Energy: 0.5204826519861463
Energy: 0.5493473982563359
Energy: 0.49058201079742864
Energy: 0.49308132976133817
Energy: 0.5692056272542039
Energy: 0.5829847749741534
Energy: 0.5046872216538375
Energy: 0.5234670999918823
Energy: 0.4821896679703152
Energy: 0.4956287738101818
Energy: 0.5366888683507804
Energy: 0.7116518859391111
Energy: 0.6137890747179087
Energy: 0.6195421159919987
Energy: 0.6579402123903308
Energy: 0.6308593083465245
Energy: 0.5879809826463942
Energy: 0.7204859073225991
Energy: 0.5991763854838689
Energy: 0.5259400589826011
Energy: 0.4977858110318978
Energy: 0.5321374159362483
Energy: 0.5334483116286767
Energy: 0.6482888964271674
Energy: 0.5144937857126236
Energy: 0.544978363146694
Energy: 0.6563862707870515
Energy: 0.44749622743616246
Energy: 0.5091102271227563
Energy: 0.5218979293918469
Energy: 0.44946156422993344
Energy: 0.5992238373159591
Energy: 0.5187215218148217
Energy: 0.4636008401035582
Energy: 0.5527003795674265
Energy: 0.5183461351486646
Energy: 0.4842765061152944
Energy: 0.48262098369175666
Energy: 0.5073851703599028
Energy: 0.45530687229298933
Energy: 0.5530418918005763
Energy: 0.7196889095881266
Energy: 0.70490981376822
Energy: 0.6926240078991641
Energy: 0.6217350172799253
Energy: 0.716133669165197
Energy: 0.6637604228650945
Energy: 0.675643602459062
Energy: 0.533501449532814
Energy: 0.5194225402133654
Energy: 0.5572556125866053
Energy: 0.5187249907501013
Energy: 0.5051572114023013
Energy: 0.6209899094177783
Energy: 0.6541690718081936
Energy: 0.6421829459107753
Energy: 0.6060354426879754
Energy: 0.6830713014219169
Energy: 0.6944398207877772
Energy: 0.6967256160779098
Energy: 0.5605983031254125
Energy: 0.5621563863971415
Energy: 0.5134972623150368
Energy: 0.5336057314130404
Energy: 0.48338758758137185
Energy: 0.6467355039448913
Energy: 0.5363421254514309
Energy: 0.5073199314978438
Energy: 0.5099060495661254
Energy: 0.5061135062164687
Energy: 0.5268038165110702
Energy: 0.5506572785783496
Energy: 0.61313397066678
Energy: 0.6143427018217087
Energy: 0.5437634030540088
Energy: 0.5724201042715611
Energy: 0.6568006564573776
Energy: 0.6910953972432824
Energy: 0.5384565493837762
Energy: 0.5148697710305408
Energy: 0.5092092582418215
Energy: 0.5100469053102245
Energy: 0.5342314001177876
Energy: 0.7561383859927591
Energy: 0.7373568356013812
Energy: 0.7619949633794278
Energy: 0.7249750208203406
Energy: 0.758145433911862
Energy: 0.7522727538706211
Energy: 0.5024648927071774
Energy: 0.508028483094606
Energy: 0.543688415937137
Energy: 0.512510683570742
Energy: 0.49462449961278715
Energy: 0.514745448412313
Energy: 0.47915296283496406
Energy: 0.4976757655732518
Energy: 0.5674332055252299
Energy: 0.47747207066656755
Energy: 0.4740919834724081
Energy: 0.5112922233334324
Energy: 0.5319595439563852
Energy: 0.5058644398903747
Energy: 0.5445384391060849
Energy: 0.5346595893926104
Energy: 0.46597646791044023
Energy: 0.5427192351195661
Energy: 0.7393820013236483
Energy: 0.5824124494744922
Energy: 0.5149897157037604
Energy: 0.509283039835096
Energy: 0.5711520192152204
Energy: 0.5715532720961741

minimum gb energy = 0.44749622743616246 eV
minimum distance =  2.60818038786036 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 0.7753784114673459
Energy: 1.1075275505121773
Energy: 0.8131675138852857
Energy: 0.7264003670367593
Energy: 1.1328727258210889
Energy: 0.7163754705010853
Energy: 0.5444268438628308
Energy: 0.5584778763372411
Energy: 0.5850567705208217
Energy: 0.5096147927608091
Energy: 0.5289816705141566
Energy: 0.5209572462913314
Energy: 0.5054252147528436
Energy: 0.5232696863570628
Energy: 0.5534603723740159
Energy: 0.5075912657961301
Energy: 0.5090330903462691
Energy: 0.5218019383493664
Energy: 0.5078010826138436
Energy: 0.5155906915017647
Energy: 0.5528271453254341
Energy: 0.5004598258690202
Energy: 0.5303810448999614
Energy: 0.5695299206992848
Energy: 0.5614287829428319
Energy: 0.5195133513516257
Energy: 0.5361816280770597
Energy: 0.5665737597158707
Energy: 0.4888399725072938
Energy: 0.5831955800142978
Energy: 0.7121573068345871
Energy: 0.617464502360788
Energy: 0.7078834347630649
Energy: 0.7300511989493371
Energy: 0.6160772869858724
Energy: 0.6557134007031747
Energy: 0.6128249274354071
Energy: 0.5346550638009188
Energy: 0.5286524109595453
Energy: 0.5095561767185407
Energy: 0.5283491772007146
Energy: 0.5575350427222558
Energy: 0.538396050495292
Energy: 0.5381654562502097
Energy: 0.5856546145911358
Energy: 0.5554577547434584
Energy: 0.543923122911657
Energy: 0.5843932751642514
Energy: 0.647861214870703
Energy: 0.5019735521647548
Energy: 0.5177003826055108
Energy: 0.5069151122090173
Energy: 0.4996872803988418
Energy: 0.5064601534383931
Energy: 0.6395208688415701
Energy: 0.6391156949272669
Energy: 0.6509717900900239
Energy: 0.629031189470478
Energy: 0.6270349816272892
Energy: 0.614911589615582
Energy: 0.6259061153549317
Energy: 0.6187398630078353
Energy: 0.5587067097157079
Energy: 0.4949910309515134
Energy: 0.5689122054332617
Energy: 0.5307055175374217
Energy: 0.6721764965066448
Energy: 0.5010837142605886
Energy: 0.5232871979617467
Energy: 0.5953209494947692
Energy: 0.4636583264507367
Energy: 0.5172156520920287
Energy: 0.6010848458622688
Energy: 0.49970236722805006
Energy: 0.6188693077758515
Energy: 0.5824406312492115
Energy: 0.4740167911390959
Energy: 0.571199613912416
Energy: 0.5023936433221476
Energy: 0.5252929630122579
Energy: 0.5203273176445689
Energy: 0.49356086731706533
Energy: 0.545035929778549
Energy: 0.5362033277632174
Energy: 0.5361708273730295
Energy: 0.6513491937382435
Energy: 0.6155073171235678
Energy: 0.5391144840638364
Energy: 0.6390422245421844
Energy: 0.5785239606930916
Energy: 0.6234546379582624
Energy: 0.554166254359025
Energy: 0.5886090935655274
Energy: 0.5690977556746718
Energy: 0.5225349509495484
Energy: 0.5222760767262473
Energy: 0.7715455704076456
Energy: 0.7017031340021956
Energy: 0.7223758616595516
Energy: 0.7185828356080466
Energy: 0.7071618037114058
Energy: 0.6040479196113054
Energy: 0.7725964877838156
Energy: 0.5939885194887885
Energy: 0.5803422645503126
Energy: 0.5202318676746462
Energy: 0.5511803611583481
Energy: 0.5178819493101889
Energy: 0.515892277740614
Energy: 0.5215339072390607
Energy: 0.5259536417121056
Energy: 0.517235969252156
Energy: 0.5015523178902561
Energy: 0.5165169931181425
Energy: 0.5049370629539912
Energy: 0.508649439878104
Energy: 0.5214692680630799
Energy: 0.5043353697340889
Energy: 0.5182363300319636
Energy: 0.5529780548556943
Energy: 0.5413891159912888
Energy: 0.5320798468434795
Energy: 0.5793504639506836
Energy: 0.5430152733032616
Energy: 0.5127692625551566
Energy: 0.5543060462351399
Energy: 0.8077803143318678
Energy: 0.7085670752094866
Energy: 0.7193268617745759
Energy: 0.8111270529528352
Energy: 0.8493639764597598
Energy: 0.6990362230896632
Energy: 0.6533946306764677
Energy: 0.5050261868651198
Energy: 0.5634774663931265
Energy: 0.5237269003289993
Energy: 0.5115136747429643
Energy: 0.5611661774263524
Energy: 0.535219879467795
Energy: 0.5480954698093955
Energy: 0.615477697872945
Energy: 0.5481271863327897
Energy: 0.5419800810181049
Energy: 0.5903364545645122
Energy: 0.6278687410483605
Energy: 0.5027772051281822
Energy: 0.5470968567256954
Energy: 0.5040507279666334
Energy: 0.5030718534668089
Energy: 0.5242681897424895
Energy: 0.620566053568288
Energy: 0.5358705698224568
Energy: 0.5708001515186065
Energy: 0.49373722740464454
Energy: 0.5902015979137942
Energy: 0.5721514688195456
Energy: 0.6269944688247115
Energy: 0.6247021006245764
Energy: 0.6067784351903789
Energy: 0.6196690694100384
Energy: 0.6711941743935148
Energy: 0.5196384947586475
Energy: 0.724093181714968
Energy: 0.46707761880346566
Energy: 0.5283878165900306
Energy: 0.6723606710256406
Energy: 0.46711231758474353
Energy: 0.5292183783325463
Energy: 0.6895211460390265
Energy: 0.692464233933199
Energy: 0.6296327540219127
Energy: 0.6542512861608708
Energy: 0.7197793177336819
Energy: 0.5984842413863805
Energy: 0.5110491723997128
Energy: 0.5161575666171241
Energy: 0.5127838773795252
Energy: 0.5090246076338986
Energy: 0.510754283679207
Energy: 0.5518821633291097
Energy: 0.5271207039981481
Energy: 0.6454137473246299
Energy: 0.5890174381425848
Energy: 0.5378555680128221
Energy: 0.6621672878772163
Energy: 0.5629066368211748
Energy: 0.586997668514766
Energy: 0.5288570847822665
Energy: 0.5541047366404416
Energy: 0.591703277973216
Energy: 0.4996973140580521
Energy: 0.5161713006757899
Energy: 0.7272396739693765
Energy: 0.6366839291803608
Energy: 0.6419898398039752
Energy: 0.4557448660464776
Energy: 0.6877168557151805
Energy: 0.5221029223720892

minimum gb energy = 0.4557448660464776 eV
minimum distance =  2.61736069814877 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.606066999258301
Energy: 1.0820824956057364
Energy: 0.6993758887386909
Energy: 0.6036800477523506
Energy: 1.0453732833698983
Energy: 0.7144957432427843
Energy: 0.64651354850395
Energy: 0.5870873871682344
Energy: 0.55164961427894
Energy: 0.5416212689608484
Energy: 0.5500589379287529
Energy: 0.5564039491098878
Energy: 0.5628108670534716
Energy: 0.575760532043376
Energy: 0.5141342260666537
Energy: 0.5609522815537769
Energy: 0.5753854830250412
Energy: 0.5386922269336776
Energy: 0.5591496396199059
Energy: 0.565729676067849
Energy: 0.584430604267975
Energy: 0.5429694673767014
Energy: 0.5778226194194992
Energy: 0.5546090777593997
Energy: 0.5774297914338609
Energy: 0.5175655654658676
Energy: 0.5453001215889649
Energy: 0.6000760068064747
Energy: 0.5531364929899267
Energy: 0.6222085459652669
Energy: 0.7021282114346132
Energy: 0.7207864356095571
Energy: 0.6677534911805538
Energy: 0.7187833606302572
Energy: 0.728734113936777
Energy: 0.6596919343958126
Energy: 0.67513096207129
Energy: 0.547702992575506
Energy: 0.5251146801069226
Energy: 0.5647149230038777
Energy: 0.5170500011166386
Energy: 0.6049173222839653
Energy: 0.6118015028535363
Energy: 0.6080141595888032
Energy: 0.5503002822935078
Energy: 0.6054678407051213
Energy: 0.5926805902925208
Energy: 0.6155436932450724
Energy: 0.5969429899239036
Energy: 0.516644887144076
Energy: 0.5259833419587598
Energy: 0.5577607102864685
Energy: 0.4918025273382291
Energy: 0.5343907511192244
Energy: 0.7732325862358452
Energy: 0.557817707040823
Energy: 0.5852876285632224
Energy: 0.5456390434982119
Energy: 0.5850605914916198
Energy: 0.6451261056812659
Energy: 0.7107498588424735
Energy: 0.5405701823849016
Energy: 0.561356569917894
Energy: 0.5491839688287129
Energy: 0.5314215881461486
Energy: 0.5763499879722505
Energy: 0.7173038259450029
Energy: 0.5417971528891649
Energy: 0.5483932063705298
Energy: 0.707656108633276
Energy: 0.48996268322749476
Energy: 0.5583551344642103
Energy: 0.6602844613715608
Energy: 0.5352064419168049
Energy: 0.5633803896139168
Energy: 0.6100531334967242
Energy: 0.48452007990377743
Energy: 0.6151528562431772
Energy: 0.5566126813600404
Energy: 0.5429527582422543
Energy: 0.5671688820581574
Energy: 0.5390575905470261
Energy: 0.5133077998741518
Energy: 0.5183189716262024
Energy: 0.5258719910051618
Energy: 0.5883232870276317
Energy: 0.5970466494059457
Energy: 0.5716713750066389
Energy: 0.5837050602746061
Energy: 0.542957721859009
Energy: 0.5537208930045661
Energy: 0.5773180879679835
Energy: 0.6056743140884125
Energy: 0.5520306314551748
Energy: 0.5545071399009602
Energy: 0.5203027428310156
Energy: 0.768308782265355
Energy: 0.6844652874501116
Energy: 0.5844779881586675
Energy: 0.728921337593706
Energy: 0.6687093214682405
Energy: 0.6625483798390066
Energy: 0.7048169341935506
Energy: 0.5956240254779652
Energy: 0.6416646267182214
Energy: 0.5310813486916489
Energy: 0.5775184414033337
Energy: 0.5514401329988454
Energy: 0.6555527043886226
Energy: 0.6413667004145962
Energy: 0.5637525136694889
Energy: 0.5712180900533347
Energy: 0.5976655698476369
Energy: 0.6233749797370791
Energy: 0.5868119314573237
Energy: 0.627456483066249
Energy: 0.5648170719838919
Energy: 0.5829791560426136
Energy: 0.6289227445737856
Energy: 0.5577329737567144
Energy: 0.4979011229843162
Energy: 0.5602041043137076
Energy: 0.5543502182335343
Energy: 0.5136541625283091
Energy: 0.5812496808953599
Energy: 0.5826762969969098
Energy: 0.5704302075708454
Energy: 0.737480438378424
Energy: 0.6171464098328855
Energy: 0.5694109361589854
Energy: 0.7103157081053744
Energy: 0.6043551939799853
Energy: 0.6500911109533412
Energy: 0.6078988267177889
Energy: 0.5692278741993378
Energy: 0.49544218154611147
Energy: 0.5368910006778955
Energy: 0.5664307041725536
Energy: 0.6154907364422231
Energy: 0.6609902307681765
Energy: 0.6718167107355819
Energy: 0.9651077937806147
Energy: 0.6483163242642423
Energy: 0.6701133950190802
Energy: 0.7824832117562036
Energy: 0.5766875078238143
Energy: 0.5765252751186003
Energy: 0.49555882916900507
Energy: 0.5721219129759822
Energy: 0.5773786665204268
Energy: 0.5645656669518693
Energy: 0.5937509667906392
Energy: 0.56188171392887
Energy: 0.5847297985209362
Energy: 0.5629311244185671
Energy: 0.5346620514064203
Energy: 0.5521375457947333
Energy: 0.5080515159366356
Energy: 0.5123357820257981
Energy: 0.5575387656852979
Energy: 0.5682754280717356
Energy: 0.4981901601353183
Energy: 0.5831627441190456
Energy: 0.5366662522356839
Energy: 0.5605258582268319
Energy: 0.5634466190270916
Energy: 0.546669305385259
Energy: 0.6502466588114607
Energy: 0.6567183244009979
Energy: 0.7361706929533022
Energy: 0.6708848559560813
Energy: 0.6718385586233944
Energy: 0.7362024370966197
Energy: 0.6713108161261098
Energy: 0.700356969259097
Energy: 0.5406844467088716
Energy: 0.5323374254011941
Energy: 0.5490165090095547
Energy: 0.5036812728055029
Energy: 0.5411914605260227
Energy: 0.6161216381143745
Energy: 0.6562769687917471
Energy: 0.5881121790330587
Energy: 0.611997875571308
Energy: 0.6417519618392701
Energy: 0.6414359543177407
Energy: 0.6017563287443946
Energy: 0.5307817274495276
Energy: 0.5076304162991665
Energy: 0.5932216833461996
Energy: 0.4855904667958655
Energy: 0.5543016734075201
Energy: 0.6923503646743095
Energy: 0.5476490064685858
Energy: 0.5830968351458703
Energy: 0.5534457097218485
Energy: 0.5861955573163651
Energy: 0.5546760851130593
Energy: 0.6789207848281125
Energy: 0.549390060623334
Energy: 0.5496118531979504
Energy: 0.5478605924785932
Energy: 0.5538004840668568
Energy: 0.6018624571969556
Energy: 0.6961554668091499
Energy: 0.5304327149328122
Energy: 0.5478760242616625
Energy: 0.7203917607887302
Energy: 0.48192129542329265
Energy: 0.5900044965580369
Energy: 0.6652719045025041
Energy: 0.7077874389452786
Energy: 0.6960101464150521
Energy: 0.6622754470552072
Energy: 0.5022011052287142
Energy: 0.6726730948593619
Energy: 0.5350552395141965
Energy: 0.5252556475181389
Energy: 0.5499763663127636
Energy: 0.5374673385862876
Energy: 0.5237335248259468
Energy: 0.547353443550025
Energy: 0.5098023324218793
Energy: 0.6100506366220012
Energy: 0.5399662818276832
Energy: 0.5202306510329824
Energy: 0.5914375309402136
Energy: 0.5692772456767221
Energy: 0.539801725185781
Energy: 0.5629437642869701
Energy: 0.5133560237662999
Energy: 0.5451925657546144
Energy: 0.5442041271887597
Energy: 0.5337160660143614
Energy: 0.7573083631353601
Energy: 0.6400364297536609
Energy: 0.634949609027846
Energy: 0.742595360985084
Energy: 0.6123271203518977
Energy: 0.6111433945731405
Energy: 0.7025656573911861
Energy: 0.5978087754396594
Energy: 0.6569266264978832
Energy: 0.5389572412344265
Energy: 0.609719007757434
Energy: 0.5551594447777024
Energy: 0.6337372449393511
Energy: 0.6371246598269312
Energy: 0.5985942470129603
Energy: 0.5277899052104618
Energy: 0.5876815158335785
Energy: 0.5428961078713208
Energy: 0.5894589159220692
Energy: 0.6107285314659793
Energy: 0.6164665041448624
Energy: 0.5809208092091771
Energy: 0.639319537943429
Energy: 0.5879306166063951
Energy: 0.5040067971966385
Energy: 0.560702656995964
Energy: 0.5650218336650958
Energy: 0.515572097739619
Energy: 0.584337451174035
Energy: 0.5509849355290565
Energy: 0.6031156983214437
Energy: 0.7980308096450598
Energy: 0.6267197732885599
Energy: 0.6022818872994175
Energy: 0.6736410172457465
Energy: 0.6124013798726201
Energy: 0.6519068813743452
Energy: 0.6117278865382816
Energy: 0.6076044464608328
Energy: 0.5287608833879622
Energy: 0.5400865791106945
Energy: 0.5637160398880539
Energy: 0.8884499555293164
Energy: 0.6158170269099338
Energy: 0.6565978596899583
Energy: 0.480571119387975
Energy: 0.6329179838220654
Energy: 0.6844800910943041

minimum gb energy = 0.480571119387975 eV
minimum distance =  2.59409067395134 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.6812958630627353
Energy: 1.0218439739586667
Energy: 0.49434857647134434
Energy: 0.6870657373820882
Energy: 0.9955166508540622
Energy: 0.5200149419433443
Energy: 0.5785102335192961
Energy: 0.41215641030599887
Energy: 0.4099804449909616
Energy: 0.44979866664411217
Energy: 0.5663629664556606
Energy: 0.4073416694185535
Energy: 0.5972607617066317
Energy: 0.4622500976621387
Energy: 0.4662458008700447
Energy: 0.5736743084870748
Energy: 0.445189437750545
Energy: 0.49617256580513286
Energy: 0.5585239445211277
Energy: 0.5026851149510596
Energy: 0.4319535818838835
Energy: 0.5580157095325463
Energy: 0.4959941370186326
Energy: 0.4624592771566734
Energy: 0.55003752049135
Energy: 0.4595672254931138
Energy: 0.4750284013764794
Energy: 0.5506888535160579
Energy: 0.4960693121762553
Energy: 0.4518877370405077
Energy: 0.5700639118482269
Energy: 0.45688417811355303
Energy: 0.44419849052840155
Energy: 0.5819353206061929
Energy: 0.5937145397513957
Energy: 0.6071701779580407
Energy: 0.6981162741673017
Energy: 0.5104611697874236
Energy: 0.44922660827901195
Energy: 0.5622465220610726
Energy: 0.5086640869697393
Energy: 0.3941384456399206

minimum gb energy = 0.3941384456399206 eV
minimum distance =  2.70927888149667 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 0.8098838388410426
Energy: 0.9768744511172748
Energy: 0.7030448539349522
Energy: 0.8036194711436443
Energy: 0.9720288564994234
Energy: 0.7603214746495036
Energy: 0.5469465531064911
Energy: 0.5719247528352336
Energy: 0.5967784087545165
Energy: 0.6306377709243375
Energy: 0.6066886283787413
Energy: 0.537129209195213
Energy: 0.6452423977569082
Energy: 0.6343208766208783
Energy: 0.6209920157723777
Energy: 0.6499266357700936
Energy: 0.6832052492353322
Energy: 0.5746386386071615
Energy: 0.508980507625442
Energy: 0.5980549093869122
Energy: 0.5467239386616373
Energy: 0.5105433828232219
Energy: 0.6364110556867684
Energy: 0.517895359687539
Energy: 0.5290175405848108
Energy: 0.629238322648176
Energy: 0.6234115023035869
Energy: 0.5097969574316731
Energy: 0.6364972413321498
Energy: 0.5756359157992462
Energy: 0.6009996820189514
Energy: 0.6121727243494033
Energy: 0.6263062750539551
Energy: 0.5927237379848231
Energy: 0.6409807807607514
Energy: 0.5920035714812123
Energy: 0.4907533931917813
Energy: 0.5749357158860903
Energy: 0.556892376877868
Energy: 0.6058294610963652
Energy: 0.6119461731247536
Energy: 0.5739613479176816
Energy: 0.7540221476087933
Energy: 0.8135037892896202
Energy: 0.6997536591209488
Energy: 0.7589198631609427
Energy: 0.8586585349902464
Energy: 0.6839230142010413
Energy: 0.5404195111146752
Energy: 0.5677416069144602
Energy: 0.5749328506899474
Energy: 0.5474725320643427
Energy: 0.5862423206808711
Energy: 0.5650464711543446
Energy: 0.7566662413799464
Energy: 0.5642326873767692
Energy: 0.5878631106102475
Energy: 0.761111728325612
Energy: 0.6644778629932286
Energy: 0.6593567453855098
Energy: 0.5742160610400392
Energy: 0.6016526261765993
Energy: 0.5761558515989336
Energy: 0.5710143447359873
Energy: 0.5764658448167167
Energy: 0.570092400251535
Energy: 0.5823938583324114
Energy: 0.6620521829558205
Energy: 0.5911678190520798
Energy: 0.5803656116403194
Energy: 0.6136028812301899
Energy: 0.5726141741761935
Energy: 0.6156684708891847
Energy: 0.5451139621689464
Energy: 0.5771512752876392
Energy: 0.6109001338510468
Energy: 0.5214743870982441
Energy: 0.5910666327024414
Energy: 0.571364606848899
Energy: 0.5117639935568113
Energy: 0.5141347439301839
Energy: 0.5725193187944132
Energy: 0.4887309519280149
Energy: 0.5377966660430631
Energy: 0.681559500951106
Energy: 0.6201238320035246
Energy: 0.6544701498213696
Energy: 0.6688595257955374
Energy: 0.6289575934870776
Energy: 0.6890913183537511
Energy: 0.5717847594204348
Energy: 0.5160226781696127
Energy: 0.5410831492929233
Energy: 0.5763053660603965
Energy: 0.6369712672985378
Energy: 0.5536924049247018
Energy: 0.7879361024975113
Energy: 0.6128996991573288
Energy: 0.6803935962644497
Energy: 0.7889581421120061
Energy: 0.8399406195844319
Energy: 0.7317698373307537
Energy: 0.638192743641791
Energy: 0.596455321080663
Energy: 0.5588164342523739
Energy: 0.6359137020808605
Energy: 0.5770805861120275
Energy: 0.5699386927189292
Energy: 0.8032188747543113
Energy: 0.6483790626498664
Energy: 0.5390433547374164
Energy: 0.6170227522348323
Energy: 0.6198335887616236
Energy: 0.5279426693571496
Energy: 0.7075998691708837
Energy: 0.5490780878870924
Energy: 0.5385245378244464
Energy: 0.5796986830883775
Energy: 0.5584485920266411
Energy: 0.5186459287993337
Energy: 0.5608082554108639
Energy: 0.5470392234645997
Energy: 0.5512804665625141
Energy: 0.5591867256437371
Energy: 0.5623416014928935
Energy: 0.5875393353744915
Energy: 0.6066940081606059
Energy: 0.6206174152516729
Energy: 0.6511055998474473
Energy: 0.5903780857475349
Energy: 0.6172426178034259
Energy: 0.6073220624280655
Energy: 0.5562617616703437
Energy: 0.6131130353276623
Energy: 0.5547327748320489
Energy: 0.5330913957101818
Energy: 0.5975922579108572
Energy: 0.5284228290287842
Energy: 0.585820281217024
Energy: 0.6171932316646624
Energy: 0.6382630098053205
Energy: 0.5730655162847945
Energy: 0.7565636090518529
Energy: 0.5945361652176103
Energy: 0.6786488178767263
Energy: 0.5786023806879314
Energy: 0.5603097566077997
Energy: 0.6750756008555354
Energy: 0.5589849363699115
Energy: 0.5297258314432088
Energy: 0.83510046546482
Energy: 0.6545611734174
Energy: 0.6688708354176386
Energy: 0.6625749399783768
Energy: 0.7012090879778786
Energy: 0.5829695630713758
Energy: 0.484411598267992
Energy: 0.6279523951125783
Energy: 0.5844330957007086
Energy: 0.6344441342617594
Energy: 0.6212436134946997
Energy: 0.5677761465911386
Energy: 0.6180012060520866
Energy: 0.582129972729546
Energy: 0.5527638461006674
Energy: 0.62313716382607
Energy: 0.5557166620494768
Energy: 0.55565427834348
Energy: 0.5645701315221752
Energy: 0.6370399537187253
Energy: 0.5845574532818791
Energy: 0.5293809854027062
Energy: 0.6695781258564854
Energy: 0.5626922877313193
Energy: 0.500808608910251
Energy: 0.5845088408041704
Energy: 0.570252223919512
Energy: 0.4875786861177826
Energy: 0.5841455000533036
Energy: 0.5310463512505961
Energy: 0.5620009750457082
Energy: 0.6875995502463079
Energy: 0.6458911400259447
Energy: 0.5569666415984255
Energy: 0.6925201267788216
Energy: 0.6183682101076853
Energy: 0.554262946060218
Energy: 0.5896125330869554
Energy: 0.5890886505689905
Energy: 0.5614678652657447
Energy: 0.5750585854038075
Energy: 0.5857516254408396
Energy: 0.7678177096148857
Energy: 0.6320480411830589
Energy: 0.6057086951397911
Energy: 0.7514017781698343
Energy: 0.6561350722030824
Energy: 0.5885423266607371
Energy: 0.526486686315609
Energy: 0.6023608030664527
Energy: 0.5699911094564895
Energy: 0.5878663966909111
Energy: 0.6172751207603016
Energy: 0.5888532876102497
Energy: 0.6069838675032982
Energy: 0.5820771134316676
Energy: 0.5974916533945174
Energy: 0.6498985220216978
Energy: 0.5886557401694898
Energy: 0.5872052627202289
Energy: 0.6764237188914339
Energy: 0.5658029203959304
Energy: 0.6051612261116824
Energy: 0.6704308691451851
Energy: 0.563618962403512
Energy: 0.6362518774038262
Energy: 0.5703304272680039
Energy: 0.5852856692268289
Energy: 0.5941481071900059
Energy: 0.5733232218500716
Energy: 0.6394904495973068
Energy: 0.5594997609694462
Energy: 0.6330773757568627
Energy: 0.6043621295838129
Energy: 0.6251836041705294
Energy: 0.6433822518506774
Energy: 0.5787700852961609
Energy: 0.6377840783612435
Energy: 0.5836600195480675
Energy: 0.486525517256203
Energy: 0.5019805538639148
Energy: 0.5928825226649015
Energy: 0.4894491421832625
Energy: 0.500688806898747
Energy: 0.6703618996630228
Energy: 0.5234361709095439
Energy: 0.5456312775685336
Energy: 0.6538060224991339
Energy: 0.536850699273889
Energy: 0.5760187386604078
Energy: 0.5710024751879412
Energy: 0.6350145602617829
Energy: 0.5293277493939688
Energy: 0.5628170225661405
Energy: 0.6275109586339145
Energy: 0.5308904639630759
Energy: 0.6371247163532682
Energy: 0.5904872677829942
Energy: 0.5783195170049014
Energy: 0.6321974529135124
Energy: 0.5817122466880219
Energy: 0.5788937107339054
Energy: 0.7649833739027203
Energy: 0.6061806461520087
Energy: 0.6834033391737812
Energy: 0.8213973239977141
Energy: 0.7286010680207415
Energy: 0.6260389654213744
Energy: 0.5251595734095199
Energy: 0.5366649794049929
Energy: 0.5299237461659381
Energy: 0.5236440600534188
Energy: 0.6297515134236411
Energy: 0.5265865848146287
Energy: 0.7099283817472343
Energy: 0.5890934172379015
Energy: 0.6301424035964996
Energy: 0.7082474360403183
Energy: 0.5869667787124335
Energy: 0.6150419296007802
Energy: 0.5238637793689492
Energy: 0.5388107692714224
Energy: 0.5438405443830004
Energy: 0.5221188650954667
Energy: 0.523328880498704
Energy: 0.5381047345380654
Energy: 0.6241967543657643
Energy: 0.6008295336053715
Energy: 0.6050964881432972
Energy: 0.6254804978322089
Energy: 0.5816282029823965
Energy: 0.6190823955703891
Energy: 0.5508368262464013
Energy: 0.5898077051947072
Energy: 0.6099180514355783
Energy: 0.5600248706141229
Energy: 0.6088828214618133
Energy: 0.5875623531701109
Energy: 0.5627428675539997
Energy: 0.5692694645121127
Energy: 0.5577302245956968
Energy: 0.5493402559360121
Energy: 0.5974275574486229
Energy: 0.5449395438873559
Energy: 0.6710859571841825
Energy: 0.6181233539428828
Energy: 0.5702891334196685
Energy: 0.672013708297257
Energy: 0.6197605804226423
Energy: 0.5562122328567113
Energy: 0.5374867067322775
Energy: 0.5775668857427088
Energy: 0.5897980291680426
Energy: 0.5889477532065973
Energy: 0.6092506133883743
Energy: 0.5576794746963768

minimum gb energy = 0.484411598267992 eV
minimum distance =  2.59380566268078 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 0.8790866429268013
Energy: 0.9637980647496929
Energy: 0.641339187662758
Energy: 0.8584017028498516
Energy: 0.9336219527380992
Energy: 0.5730089382157743
Energy: 0.5481254237877866
Energy: 0.5439570213141716
Energy: 0.5678370191527203
Energy: 0.5531292084074289
Energy: 0.5909502912519614
Energy: 0.5702768566670801
Energy: 0.638874785063854
Energy: 0.6024345069982083
Energy: 0.6114579709218384
Energy: 0.6471389183080098
Energy: 0.5837760322921796
Energy: 0.6342424474451778
Energy: 0.5367026039923279
Energy: 0.6209450847184659
Energy: 0.5960089951860807
Energy: 0.5392659574260417
Energy: 0.572954351688968
Energy: 0.5557252667424546
Energy: 0.5288240803859972
Energy: 0.6294368030091345
Energy: 0.5809852088957678
Energy: 0.5475317748204294
Energy: 0.6248693059762936
Energy: 0.5733464744535738
Energy: 0.6528413321051993
Energy: 0.5886346200491338
Energy: 0.5967040875203687
Energy: 0.6492275154714043
Energy: 0.6058452355597583
Energy: 0.5962046873409956
Energy: 0.6669109665585392
Energy: 0.5664472509735151
Energy: 0.5814234478181427
Energy: 0.6430502958001626
Energy: 0.5491418780152386
Energy: 0.5532752584083364
Energy: 0.7221509377845313
Energy: 0.8493905605354647
Energy: 0.822338037572589
Energy: 0.7243206195892063
Energy: 0.8208276635355548
Energy: 0.6191870327774044
Energy: 0.6551849212958462
Energy: 0.5892102423955217
Energy: 0.5718529609243852
Energy: 0.6553397123568466
Energy: 0.5474509231304369
Energy: 0.5672793719458639
Energy: 0.6344214617364832
Energy: 0.5956735908222818
Energy: 0.5145041293731091
Energy: 0.6409882139394577
Energy: 0.5299658036160895
Energy: 0.5315561322473368
Energy: 0.5458070273429494
Energy: 0.5679021377502095
Energy: 0.548245428984042
Energy: 0.549479390403473
Energy: 0.49132437444889054
Energy: 0.5580640769661651
Energy: 0.5583828751312095
Energy: 0.5972320780994432
Energy: 0.6034078698442467
Energy: 0.5449958982761719
Energy: 0.5863521152143832
Energy: 0.5882085976796269
Energy: 0.5890726108855825
Energy: 0.5901691667132738
Energy: 0.5655465835893233
Energy: 0.5838311055832023
Energy: 0.5655649361267031
Energy: 0.6029151616173671
Energy: 0.5363052774918506
Energy: 0.5346275166178296
Energy: 0.5439944377454355
Energy: 0.5508630100053111
Energy: 0.5366756306166091
Energy: 0.5759671767818147
Energy: 0.7400912820847794
Energy: 0.6774559653691913
Energy: 0.6829913208345816
Energy: 0.7303453158388149
Energy: 0.666941208661909
Energy: 0.6166513809556733
Energy: 0.5370698077572634
Energy: 0.5598886098761258
Energy: 0.5709429082517493
Energy: 0.5404403909401506
Energy: 0.6769949302314882
Energy: 0.5645339960379632
Energy: 0.7702525859775459
Energy: 0.6332042168859588
Energy: 0.5848571817184385
Energy: 0.7617121494759999
Energy: 0.7289209642426171
Energy: 0.6489973184648223
Energy: 0.5477844776055412
Energy: 0.5807764789514035
Energy: 0.5956836846181134
Energy: 0.5373819177385203
Energy: 0.5890188877702213
Energy: 0.6085646605354766
Energy: 0.4886477945143247
Energy: 0.6448158402335806
Energy: 0.4989223850858367
Energy: 0.628734708519511
Energy: 0.6558549662076962
Energy: 0.5035472406557452
Energy: 0.6433588661928595
Energy: 0.564316283254396
Energy: 0.5154832572705106
Energy: 0.6175870660528195
Energy: 0.5689926464675431
Energy: 0.533951032527333
Energy: 0.5300681000884252
Energy: 0.5719127744821816
Energy: 0.5905608627232404
Energy: 0.5314984895791989
Energy: 0.5701160395177629
Energy: 0.6212445568023619
Energy: 0.5941059079135634
Energy: 0.6165937700165318
Energy: 0.6497546708505849
Energy: 0.6128330682978231
Energy: 0.6188592672038066
Energy: 0.6232417791943576
Energy: 0.532764132926068
Energy: 0.6223343287349921
Energy: 0.57406963186189
Energy: 0.5313722791960944
Energy: 0.6312883159787424
Energy: 0.564657189453346
Energy: 0.5923830813070573
Energy: 0.6629196089135365
Energy: 0.635559547347928
Energy: 0.5780566628730955
Energy: 0.7261002790551921
Energy: 0.5777371110181868
Energy: 0.6875558276990708
Energy: 0.5680661903217576
Energy: 0.5843961461892053
Energy: 0.6456525658333917
Energy: 0.5404826970761277
Energy: 0.5716524392214722
Energy: 0.7283689830424042
Energy: 0.5735554396313829
Energy: 0.5962873832012497
Energy: 0.7239989763527785
Energy: 0.5726330634394602
Energy: 0.6141659521629403
Energy: 0.7145957103510685
Energy: 0.5890909130181127
Energy: 0.618666641748442
Energy: 0.7265337275406443
Energy: 0.5853637405785486
Energy: 0.6090551097569162
Energy: 0.6377918947250305
Energy: 0.5523946634811221
Energy: 0.5569900922008444
Energy: 0.6321830400599593
Energy: 0.5021699768465188
Energy: 0.5540263205068687
Energy: 0.5523470580225252
Energy: 0.5833567908335158
Energy: 0.5613535580276938
Energy: 0.5610035134078037
Energy: 0.6605764852553923
Energy: 0.6355325526919366
Energy: 0.5514246146912277
Energy: 0.6052144132596972
Energy: 0.5869149220571058
Energy: 0.5452369681753277
Energy: 0.5475370966920027
Energy: 0.5471335149401118
Energy: 0.5962267595623153
Energy: 0.6754941153557937
Energy: 0.6686290789749062
Energy: 0.5921491443193723
Energy: 0.6639740181824032
Energy: 0.6171239518262598
Energy: 0.5621004676384159
Energy: 0.5328878182368731
Energy: 0.5288575974897274
Energy: 0.5472618938085391
Energy: 0.5347139623534978
Energy: 0.5537277866336214
Energy: 0.7213530709829914
Energy: 0.5612391866955206
Energy: 0.5619056585196661
Energy: 0.6465236294647179
Energy: 0.545986383050786
Energy: 0.5767819562941838
Energy: 0.5314344620729673
Energy: 0.6913076358353514
Energy: 0.5782703901806552
Energy: 0.5280849113350934
Energy: 0.662524111375504
Energy: 0.5758341289451026
Energy: 0.5387557589635525
Energy: 0.5680395593485702
Energy: 0.5612160032809677
Energy: 0.546046692121356
Energy: 0.6960645551532463
Energy: 0.5928043061170863
Energy: 0.8040818787002966
Energy: 0.6403501727612408
Energy: 0.6306112839843405
Energy: 0.8129780184110691
Energy: 0.640739524498355
Energy: 0.6157624410689313
Energy: 0.5398737456586628
Energy: 0.5580362471031728
Energy: 0.5796532429996661
Energy: 0.5633056536739789
Energy: 0.6255067557827813
Energy: 0.5478161507405218
Energy: 0.8583497607987074
Energy: 0.658133968624348
Energy: 0.6020015682369748
Energy: 0.85983544765048
Energy: 0.6769971654104862
Energy: 0.6573467754968171

minimum gb energy = 0.4886477945143247 eV
minimum distance =  2.60203130449788 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 0.8450299030064483
Energy: 1.0001697145693567
Energy: 0.7522254806229145
Energy: 0.837165908873565
Energy: 1.0134214880627754
Energy: 0.640253052243301
Energy: 0.653531549704867
Energy: 0.6025233171193115
Energy: 0.6292568145842748
Energy: 0.6527299985385322
Energy: 0.5502746616996786
Energy: 0.6018817284116036
Energy: 0.6661363864833838
Energy: 0.6261746376021655
Energy: 0.5944073409266077
Energy: 0.6615687658988406
Energy: 0.7160695653072228
Energy: 0.576963232781658
Energy: 0.5234737743991328
Energy: 0.6186518242426802
Energy: 0.5572627417307391
Energy: 0.5207026957255931
Energy: 0.6436248301890738
Energy: 0.5458179201386273
Energy: 0.5319349137586629
Energy: 0.6301262994909238
Energy: 0.6186591370819738
Energy: 0.5339706409578889
Energy: 0.5770321280115736
Energy: 0.5985584484212663
Energy: 0.6040186201935615
Energy: 0.6079858837167536
Energy: 0.5996159013851922
Energy: 0.6014760604348888
Energy: 0.5745789166625732
Energy: 0.6338052140530593
Energy: 0.5433401595651434
Energy: 0.529662562206144
Energy: 0.5417559471925778
Energy: 0.5694502722096442
Energy: 0.5171980014588631
Energy: 0.5589456491255239
Energy: 0.7176778990698923
Energy: 0.6802021916651076
Energy: 0.6799157240489538
Energy: 0.7121638583711793
Energy: 0.6694049711432408
Energy: 0.7066721500026207
Energy: 0.5425250429638446
Energy: 0.5607318683834274
Energy: 0.5674976564707551
Energy: 0.5497620136045964
Energy: 0.6857650974892368
Energy: 0.5989104127414199
Energy: 0.8220825630190164
Energy: 0.6800539743134478
Energy: 0.6971767685999936
Energy: 0.661345768868315
Energy: 0.7564694091310467
Energy: 0.6910378150692302
Energy: 0.6355955887410276
Energy: 0.6287110641941596
Energy: 0.6084171656194202
Energy: 0.5738429168543552
Energy: 0.6020339680005362
Energy: 0.6134215297809738
Energy: 0.587608006144559
Energy: 0.6293615144285957
Energy: 0.5529392569191536
Energy: 0.581249920421867
Energy: 0.6707620073968567
Energy: 0.5849343749522149
Energy: 0.7497920496866816
Energy: 0.5733320580761416
Energy: 0.6123928179734458
Energy: 0.7269455017844904
Energy: 0.5523160677889205
Energy: 0.6051287726508794
Energy: 0.5506270220410205
Energy: 0.5783674996950886
Energy: 0.5910849679034725
Energy: 0.5981217518342397
Energy: 0.5654173924673546
Energy: 0.6209620869648487
Energy: 0.5717462094818319
Energy: 0.6517739597204855
Energy: 0.649361079510854
Energy: 0.5883516654991622
Energy: 0.6212832683944515
Energy: 0.6309531923806712
Energy: 0.4986782890962373
Energy: 0.5742235032180203
Energy: 0.5736315334766674
Energy: 0.4985853808449072
Energy: 0.6450195309227092
Energy: 0.5153559324383372
Energy: 0.5416598507735908
Energy: 0.6443293036773324
Energy: 0.6246943328835785
Energy: 0.5530434778308699
Energy: 0.6449008345668356
Energy: 0.6173107362460706
Energy: 0.6177675811337652
Energy: 0.625411330586614
Energy: 0.6133787459990534
Energy: 0.6240930967907263
Energy: 0.5874406386304576
Energy: 0.6021804825063739
Energy: 0.7233493179987504
Energy: 0.578159478741569
Energy: 0.5905025735489199
Energy: 0.7170506635103276
Energy: 0.5732310795632497
Energy: 0.5868934233165927
Energy: 0.7930610106695358
Energy: 0.6410382932363748
Energy: 0.5883304749954278
Energy: 0.6821890361104502
Energy: 0.6386545041339875
Energy: 0.5882882039954004
Energy: 0.6084790302560669
Energy: 0.6248490426090347
Energy: 0.611671447884412
Energy: 0.638418118899586
Energy: 0.5838112096791754
Energy: 0.6065828487139253
Energy: 0.7329454281237755
Energy: 0.7800542700648851
Energy: 0.6101682869498483
Energy: 0.7422798063920644
Energy: 0.7441097230674378
Energy: 0.6715957222439034
Energy: 0.5760526041991731
Energy: 0.606914136730242
Energy: 0.6140578133664046
Energy: 0.5747970476665779
Energy: 0.5835473716239826
Energy: 0.6038708660797193
Energy: 0.6678807705757601
Energy: 0.6500229880845231
Energy: 0.629116363231552
Energy: 0.6574197763140515
Energy: 0.629597679890999
Energy: 0.6306517972450733
Energy: 0.5954992463902433
Energy: 0.5092685023940322
Energy: 0.5327735484663452
Energy: 0.6059091178072578
Energy: 0.5116648244336642
Energy: 0.5773026822677767
Energy: 0.6310407317991363
Energy: 0.5424795816168383
Energy: 0.5752030887156876
Energy: 0.6259158764507284
Energy: 0.5200131174410059
Energy: 0.5865036840928365
Energy: 0.6011937626008906
Energy: 0.6304127623767966
Energy: 0.6178867228566476
Energy: 0.6231294193261467
Energy: 0.6031626359857841
Energy: 0.617371024016133
Energy: 0.564532743706816
Energy: 0.6089757779655081
Energy: 0.6113319392411795
Energy: 0.5532174439563572
Energy: 0.5791409735543621
Energy: 0.5816677553964344
Energy: 0.7343030714939514
Energy: 0.6572522964728853
Energy: 0.624485961779057
Energy: 0.7416599589076317
Energy: 0.6927461468301458
Energy: 0.706072295812042
Energy: 0.6754646241528232
Energy: 0.6081670464616088
Energy: 0.6032697642820805
Energy: 0.669814071117968
Energy: 0.5505976017111338
Energy: 0.5875425019549871
Energy: 0.8378732392150422
Energy: 0.7306752897666151
Energy: 0.7524714557394532
Energy: 0.8307528520254137
Energy: 0.7563493777612185
Energy: 0.753688858494487

minimum gb energy = 0.4985853808449072 eV
minimum distance =  2.60503601694735 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.6319632480043844
Energy: 0.9724906905337117
Energy: 0.6335321518838829
Energy: 0.6382278539267059
Energy: 0.948333601435894
Energy: 0.6566557543578335
Energy: 0.6060967705252337
Energy: 0.5800605239544838
Energy: 0.6111468101765694
Energy: 0.6141579562527828
Energy: 0.5431883335923409
Energy: 0.6295390764469737
Energy: 0.6480898974453306
Energy: 0.6354259620600305
Energy: 0.632824411620561
Energy: 0.660933546815845
Energy: 0.6356365839187517
Energy: 0.6235603846736858
Energy: 0.5570389055971923
Energy: 0.6251806379995648
Energy: 0.6123150158157711
Energy: 0.5340631615531138
Energy: 0.625800281437657
Energy: 0.5520436657328399
Energy: 0.5382990328327943
Energy: 0.6200069700463344
Energy: 0.6163947344835106
Energy: 0.5430040768460288
Energy: 0.6458438666205805
Energy: 0.5813700818762049
Energy: 0.595665858243135
Energy: 0.608124641107185
Energy: 0.6284216056908553
Energy: 0.6340790187452412
Energy: 0.5826860608959764
Energy: 0.6254884105821303
Energy: 0.5283702177209578
Energy: 0.5292943784568714
Energy: 0.5466347624269668
Energy: 0.6286275733541978
Energy: 0.5262919181355634
Energy: 0.5454534441727402
Energy: 0.6254853788376662
Energy: 0.6892562919772879
Energy: 0.7022803951569858
Energy: 0.6313780855765263
Energy: 0.6399056825336469
Energy: 0.6539569954802716
Energy: 0.526365604347212
Energy: 0.5431141450687115
Energy: 0.6017436876684369
Energy: 0.5315678599492868
Energy: 0.6405227180230241
Energy: 0.6286963762170165
Energy: 0.5806523930583026
Energy: 0.7054815014449304
Energy: 0.7072101481945384
Energy: 0.5935138575830664
Energy: 0.7246767948827229
Energy: 0.607252015653915
Energy: 0.6240159428317907
Energy: 0.6278146864291084
Energy: 0.5962797230194499
Energy: 0.6421492032302463
Energy: 0.6547611170229034
Energy: 0.6258278706561949
Energy: 0.47476250510645085
Energy: 0.6937273207825668
Energy: 0.6279906734206074
Energy: 0.472463748040309
Energy: 0.6334279660139518
Energy: 0.5906165922844347
Energy: 0.8040248179506951
Energy: 0.6356259534492243
Energy: 0.6869779438044165
Energy: 0.7555771707157599
Energy: 0.6141304345693931
Energy: 0.6234113589825454
Energy: 0.6186393289860012
Energy: 0.5761602180302654
Energy: 0.6249326797549577
Energy: 0.6271932070385626
Energy: 0.5269540610784437
Energy: 0.6154387226420797
Energy: 0.6115051031423075
Energy: 0.646906102332207
Energy: 0.6316730083023209
Energy: 0.6158890209084659
Energy: 0.6460499935462476
Energy: 0.62785186155563
Energy: 0.5267700063298897
Energy: 0.5930855485156494
Energy: 0.5964835776738323
Energy: 0.530716756744726
Energy: 0.580185799143039
Energy: 0.5587028989281692
Energy: 0.5534614831136082
Energy: 0.6340143545554436
Energy: 0.6189273390926971
Energy: 0.5614586545629655
Energy: 0.6234039845532262
Energy: 0.6302846822924747
Energy: 0.5899965557407013
Energy: 0.547162296056049
Energy: 0.5709263613114232
Energy: 0.5983143683397776
Energy: 0.5441738099423928
Energy: 0.6279600785077919
Energy: 0.5458345290713273
Energy: 0.558758888879903
Energy: 0.5846566359291078
Energy: 0.6969475273137686
Energy: 0.540482334178024
Energy: 0.618110179942141
Energy: 0.5362003393027932
Energy: 0.6783040078888597
Energy: 0.6270594681064172
Energy: 0.6587924009782392
Energy: 0.6479823014460043
Energy: 0.6101834377805867
Energy: 0.5434247584915289
Energy: 0.6177208850288808
Energy: 0.6324889020021547
Energy: 0.5560013119745866
Energy: 0.5285957422948454
Energy: 0.6250774860565129
Energy: 0.8003367162197637
Energy: 0.7274787519403032
Energy: 0.642034469037104
Energy: 0.8230286833879954
Energy: 0.732961784779316
Energy: 0.6468949861360033
Energy: 0.6228828750363994
Energy: 0.5840630113692608
Energy: 0.6240345953822316
Energy: 0.6078067663988989
Energy: 0.5361496239910696
Energy: 0.6302880524312879
Energy: 0.8258455627493271
Energy: 0.6795197772274923
Energy: 0.685387630331433
Energy: 0.6378115363432553
Energy: 0.6609016035803796
Energy: 0.6300753895874641

minimum gb energy = 0.472463748040309 eV
minimum distance =  2.6094219452538 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.6828701150006771
Energy: 0.8201085783555474
Energy: 0.6772618270868281
Energy: 0.6803751142095897
Energy: 0.8192109651577492
Energy: 0.6603522446111166
Energy: 0.6735939714190262
Energy: 0.6244508511833817
Energy: 0.5545605200609903
Energy: 0.6265018502829315
Energy: 0.6342034790221257
Energy: 0.6399157371543533
Energy: 0.6446544455894264
Energy: 0.6171931263399589
Energy: 0.616577867345514
Energy: 0.6417777538834871
Energy: 0.6663654159559199
Energy: 0.547632865162255
Energy: 0.5452672269646852
Energy: 0.6243326446875015
Energy: 0.5358301402667566
Energy: 0.5528813974481677
Energy: 0.6280238006741201
Energy: 0.5684231699316672
Energy: 0.5666219340592393
Energy: 0.5437517914334133
Energy: 0.5914239959208982
Energy: 0.5696074548343798
Energy: 0.6284164154936731
Energy: 0.6141995176322714
Energy: 0.6208052929182643
Energy: 0.5108282515940316
Energy: 0.5854424919946604
Energy: 0.6261699174225266
Energy: 0.5177528542424219
Energy: 0.5964521523790974
Energy: 0.561024194145014
Energy: 0.5040537413553219
Energy: 0.49623415230438744
Energy: 0.5776211036186717
Energy: 0.49268012545208084
Energy: 0.5548509638155531
Energy: 0.6047511606423447
Energy: 0.6106649230957988
Energy: 0.5942667932857688
Energy: 0.6075337342527555
Energy: 0.6005926703557984
Energy: 0.6224877984790917
Energy: 0.47842697566768794
Energy: 0.5921894558555106
Energy: 0.5805961256944092
Energy: 0.4802699776499016
Energy: 0.6288171367295936
Energy: 0.5173148716185785
Energy: 0.5212941499002872
Energy: 0.6117483550381373
Energy: 0.6037620782634336
Energy: 0.5138576937154601
Energy: 0.637494121959367
Energy: 0.5811647424439426
Energy: 0.6091935913941563
Energy: 0.5877201515864235
Energy: 0.6214808720914081
Energy: 0.5999487733665633
Energy: 0.5678028880871656
Energy: 0.6052664273812861
Energy: 0.6471922040318188
Energy: 0.5585219217905073
Energy: 0.5653880640787656
Energy: 0.6744990390675295
Energy: 0.5420790187894078
Energy: 0.5763573271715788
Energy: 0.6594997051104925
Energy: 0.6725152836141567
Energy: 0.596493144259927
Energy: 0.6528481020582908
Energy: 0.6513515781713967
Energy: 0.7065843822621863
Energy: 0.6567964985434551
Energy: 0.5462507451597083
Energy: 0.5606940986947182
Energy: 0.6389820691037952
Energy: 0.5609694621613384
Energy: 0.590688555616087
Energy: 0.7294297300399162
Energy: 0.7141941129688072
Energy: 0.7167962970616374
Energy: 0.7466640833207406
Energy: 0.7564812205064533
Energy: 0.7074136442367581
Energy: 0.6468713045952559
Energy: 0.6259987596611815
Energy: 0.6332857181570454
Energy: 0.6725670483181254
Energy: 0.641628823585615
Energy: 0.64425003567939
Energy: 0.6984940353617634
Energy: 0.660122656907698
Energy: 0.6638586222029025
Energy: 0.6761179542587118
Energy: 0.6484999419846775
Energy: 0.6187758589432812

minimum gb energy = 0.47842697566768794 eV
minimum distance =  2.60973006067358 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.7352838510199786
Energy: 0.7621181592169576
Energy: 0.6703846813803889
Energy: 0.6809401150790968
Energy: 0.7745314005475469
Energy: 0.6633181027484623
Energy: 0.6993408252468283
Energy: 0.6064643307362751
Energy: 0.5964163735575808
Energy: 0.5622376755589467
Energy: 0.5929631739391766
Energy: 0.5994498620242377
Energy: 0.6602788115411554
Energy: 0.5850593039255932
Energy: 0.5928157043647623
Energy: 0.6011005524834057
Energy: 0.6214119560334531
Energy: 0.6153714040799925
Energy: 0.558385868451136
Energy: 0.604642258465761
Energy: 0.5899895318450158
Energy: 0.5540486946629182
Energy: 0.6843665697168518
Energy: 0.5279032864491543
Energy: 0.6036990787525818
Energy: 0.5473996393337802
Energy: 0.5773299807647287
Energy: 0.5752279494587073
Energy: 0.5846245099435126
Energy: 0.5840976415426926
Energy: 0.668726224040539
Energy: 0.5342605498721543
Energy: 0.5632939850057693
Energy: 0.6128479906792595
Energy: 0.5210495495112807
Energy: 0.5890960138857924
Energy: 0.6170399704688555
Energy: 0.4930162044444022
Energy: 0.49905889651226376
Energy: 0.6161330780025606
Energy: 0.5010583449140309
Energy: 0.5861364219495218
Energy: 0.5886133453217467
Energy: 0.5546382478686408
Energy: 0.5739632966074512
Energy: 0.5872839042246849
Energy: 0.5811154426468776
Energy: 0.5801387077542339
Energy: 0.47063589615006657
Energy: 0.5571610544678856
Energy: 0.5525737088647226
Energy: 0.4670778285213497
Energy: 0.6180270842297245
Energy: 0.49657984725679816
Energy: 0.49914591378403295
Energy: 0.5703831118262546
Energy: 0.5563775755474485
Energy: 0.49434833651607757
Energy: 0.5697352835749472
Energy: 0.5535695176416748
Energy: 0.5988336315051507
Energy: 0.48860637034749443
Energy: 0.5551867491154872
Energy: 0.5732638353199945
Energy: 0.4785876408583204
Energy: 0.5572140041935639
Energy: 0.5920569650672919
Energy: 0.4883623165337013
Energy: 0.4899957068639051
Energy: 0.6039905367610396
Energy: 0.47319912605757036
Energy: 0.5156883047102071
Energy: 0.6297379618702575
Energy: 0.574558897770308
Energy: 0.5760168007362007
Energy: 0.608160293930115
Energy: 0.5708483487155054
Energy: 0.558007763781486
Energy: 0.4841518411977833
Energy: 0.5734054613307541
Energy: 0.5994568401820904
Energy: 0.489352759674089
Energy: 0.6321435738787808
Energy: 0.5031700254368631
Energy: 0.5286762308372395
Energy: 0.5994651565169168
Energy: 0.586188031159239
Energy: 0.5240858969540598
Energy: 0.6031982360808582
Energy: 0.5947659467656803
Energy: 0.6025784986914727
Energy: 0.5965905965203175
Energy: 0.601586920119602
Energy: 0.5892949683302569
Energy: 0.5654991436825998
Energy: 0.5214377934924171
Energy: 0.6665926800186242
Energy: 0.5815134585540466
Energy: 0.5991620154396
Energy: 0.6877509932468946
Energy: 0.562149052475335
Energy: 0.5573700405085725
Energy: 0.6472431428624204
Energy: 0.6192918208401245
Energy: 0.6188105072189279
Energy: 0.6744497585014744
Energy: 0.6301469554379812
Energy: 0.5836727960574414
Energy: 0.602708936949585
Energy: 0.5833157741011384
Energy: 0.6120492319042354
Energy: 0.6008821789986584
Energy: 0.6600457468912918
Energy: 0.6098146226625811
Energy: 0.7411984444994352
Energy: 0.6465114561868917
Energy: 0.6357940763566035
Energy: 0.7351278358285445
Energy: 0.651434702632134
Energy: 0.7610422428105914
Energy: 0.6559286488074281
Energy: 0.5635792250462658
Energy: 0.5878402484496176
Energy: 0.5800435996106138
Energy: 0.5684802568538011
Energy: 0.6331691993533465
Energy: 0.7083014713366897
Energy: 0.6264889437981471
Energy: 0.6572516499483056
Energy: 0.6701373220515207
Energy: 0.6175853858490054
Energy: 0.6146182837352246
Energy: 0.659180528725036
Energy: 0.5654350793470061
Energy: 0.5829358462648009
Energy: 0.6542469243765697
Energy: 0.6062116118720456
Energy: 0.6097766559353124
Energy: 0.6101898980496806
Energy: 0.6881090445423897
Energy: 0.5864730188982399
Energy: 0.6136150011657333
Energy: 0.6565390380249982
Energy: 0.5643305958711798
Energy: 0.5750823494797702
Energy: 0.6018556948315833
Energy: 0.6205951090935292
Energy: 0.604325759358781
Energy: 0.6168177518176142
Energy: 0.5730525764876231
Energy: 0.5528564897645561
Energy: 0.579164922849862
Energy: 0.5909333778542447
Energy: 0.55946233212881
Energy: 0.5691068888360579
Energy: 0.5661190849965388
Energy: 0.6599262894859262
Energy: 0.610595269607386
Energy: 0.6138461746809004
Energy: 0.6249653355926788
Energy: 0.6095318406547748
Energy: 0.5912599871938791
Energy: 0.6082852721451543
Energy: 0.5017751390707264
Energy: 0.5109871425445932
Energy: 0.6202004920246035
Energy: 0.48356994852972995
Energy: 0.5212912684640041
Energy: 0.5744702666552092
Energy: 0.566705409297612
Energy: 0.5604397243107145
Energy: 0.5679384767742904
Energy: 0.5314792160470347
Energy: 0.5610164761134708
Energy: 0.4842047680290038
Energy: 0.5653028546612417
Energy: 0.570065164836089
Energy: 0.4780823393166604
Energy: 0.5656351997470468
Energy: 0.5487146486626879
Energy: 0.4661024212183594
Energy: 0.5546000824126884
Energy: 0.5490718325400293
Energy: 0.4647538399836589
Energy: 0.5779080193611287
Energy: 0.5521421520719519
Energy: 0.5910648775853246
Energy: 0.5539235866720162
Energy: 0.5572301692463204
Energy: 0.5922798688666864
Energy: 0.5934351812609677
Energy: 0.5650509141584046
Energy: 0.5993859687358809
Energy: 0.4613908908831871
Energy: 0.47128536150678263
Energy: 0.5978503938979469
Energy: 0.46563891761822995
Energy: 0.4835897191765882
Energy: 0.6183808963574448
Energy: 0.5722789329109612
Energy: 0.6047160069810601
Energy: 0.6285361236767051
Energy: 0.5366532543653071
Energy: 0.599335755955933
Energy: 0.4892763685614136
Energy: 0.5721699053949938
Energy: 0.5588764806358364
Energy: 0.5005144837929815
Energy: 0.5691570325568592
Energy: 0.5738958136590174
Energy: 0.49501386537032344
Energy: 0.5699156108513839
Energy: 0.5864869898779395
Energy: 0.5055824161425623
Energy: 0.5827583568600504
Energy: 0.5509441890477843
Energy: 0.6000667886190993
Energy: 0.6155874858821428
Energy: 0.5807680885212898
Energy: 0.5871313505826729
Energy: 0.6252423042063272
Energy: 0.5478572549872301
Energy: 0.6246741954379763
Energy: 0.5544784619184244
Energy: 0.5656494951837105
Energy: 0.6473322120302952
Energy: 0.5564508253968049
Energy: 0.5787822533980295
Energy: 0.675136620971819
Energy: 0.6535297980786651
Energy: 0.5995163808381724
Energy: 0.661727465316049
Energy: 0.6294483281260634
Energy: 0.6254613360987333
Energy: 0.6403838983418169
Energy: 0.5654603596515401
Energy: 0.5612195737514888
Energy: 0.6315336494140473
Energy: 0.5990694040908177
Energy: 0.6831108817239874
Energy: 0.6096029391470013
Energy: 0.6178434281072581
Energy: 0.6763529500482088
Energy: 0.6182596110137611
Energy: 0.6417427104671647
Energy: 0.6592561924352917
Energy: 0.6266960745027522
Energy: 0.6374574965109001
Energy: 0.6172996330870797
Energy: 0.5992298760987147
Energy: 0.6957164788430434
Energy: 0.6411016370716859
Energy: 0.6588123560567318
Energy: 0.6241413851138339
Energy: 0.5927385705408373
Energy: 0.6319669076990099
Energy: 0.6179691780769074
Energy: 0.5991311020216443

minimum gb energy = 0.4613908908831871 eV
minimum distance =  2.55925120109141 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.6272435977651886
Energy: 0.7468078199337792
Energy: 0.6341200616543023
Energy: 0.6441770265851564
Energy: 0.7316091299109829
Energy: 0.6538418076196636
Energy: 0.6127744168210967
Energy: 0.5795634522530057
Energy: 0.5544804909574473
Energy: 0.5692599809441287
Energy: 0.5851178679898994
Energy: 0.599229627438664
Energy: 0.5939692704281809
Energy: 0.5692104892448325
Energy: 0.5553000354461063
Energy: 0.5954301620834431
Energy: 0.5691442166763645
Energy: 0.5787137720986856
Energy: 0.518202713310504
Energy: 0.5521170550897526
Energy: 0.557765195367321
Energy: 0.515740550216118
Energy: 0.644416614858817
Energy: 0.49530623567991794
Energy: 0.5391309933829727
Energy: 0.5107713073613344
Energy: 0.5248887202981853
Energy: 0.5560817248012827
Energy: 0.5641020265376353
Energy: 0.55166427057714
Energy: 0.5893371131285582
Energy: 0.5345248522899331
Energy: 0.5919479944558509
Energy: 0.5837170912060079
Energy: 0.5083214310746326
Energy: 0.547945984978243
Energy: 0.5779887238278818
Energy: 0.48344877936649855
Energy: 0.48813032480271784
Energy: 0.5862430358528707
Energy: 0.47502417001573954
Energy: 0.5743455759394127
Energy: 0.5500870252475019
Energy: 0.5295418063709436
Energy: 0.5346176093125626
Energy: 0.534418229445349
Energy: 0.5711904498612074
Energy: 0.5402217867471721
Energy: 0.4403675832332623
Energy: 0.5366534370859554
Energy: 0.49068396567749245
Energy: 0.44351135983406875
Energy: 0.5704643200141349
Energy: 0.45358222817384475
Energy: 0.47632379955581444
Energy: 0.5301833476666036
Energy: 0.5421434005207578
Energy: 0.47660679389515415
Energy: 0.527741328885012
Energy: 0.5198410561735956
Energy: 0.5796063509580545
Energy: 0.45100245936109296
Energy: 0.5307147377691825
Energy: 0.5370530145859589
Energy: 0.4588356622365914
Energy: 0.5232417300814582
Energy: 0.5501109323023186
Energy: 0.43026516766728984
Energy: 0.44809253620612743
Energy: 0.5645701403192841
Energy: 0.4288815146320466
Energy: 0.5198499564550837
Energy: 0.5627808212409335
Energy: 0.5367300864328602
Energy: 0.5097108491212231
Energy: 0.5654132084132514
Energy: 0.5559854878576447
Energy: 0.539716157843003
Energy: 0.4240098653084803
Energy: 0.5219231951125378
Energy: 0.48351284975964154
Energy: 0.4279781774685691
Energy: 0.561608370963842
Energy: 0.4320799156074183
Energy: 0.4717978282227183
Energy: 0.5688170766182855
Energy: 0.5300508303585215
Energy: 0.4657826101893315
Energy: 0.5584166248647493
Energy: 0.5620192866502175
Energy: 0.5522819363402859
Energy: 0.4596803982332812
Energy: 0.5229256023036042
Energy: 0.5460894105489246
Energy: 0.4679743580725617
Energy: 0.5129599148607847
Energy: 0.5863727260403416
Energy: 0.4668060760986871
Energy: 0.4525862693240577
Energy: 0.5808245545995817
Energy: 0.4543660449107063
Energy: 0.524011756132213
Energy: 0.5841456240118781
Energy: 0.5525386940452076
Energy: 0.5364063856798321
Energy: 0.6215586444218628
Energy: 0.5438582997567766
Energy: 0.5636758505764142
Energy: 0.46886480180681034
Energy: 0.5419890789105917
Energy: 0.47931157275335023
Energy: 0.4802548057325468
Energy: 0.6028011199063817
Energy: 0.4877596499250406
Energy: 0.5850887455048911
Energy: 0.595187942212739
Energy: 0.5610848109342608
Energy: 0.5823851396161303
Energy: 0.6063560535181415
Energy: 0.6330151024626909
Energy: 0.5663206991033632
Energy: 0.5578839618752014
Energy: 0.5821158089857557
Energy: 0.5584690493915405
Energy: 0.5502243691824192
Energy: 0.5785558378590634
Energy: 0.6301359748394882
Energy: 0.5762402350486139
Energy: 0.5162099590714905
Energy: 0.5945360771246201
Energy: 0.5502140831968427
Energy: 0.5504104771923466
Energy: 0.5477161398501008
Energy: 0.6292291585065991
Energy: 0.6235355413499569
Energy: 0.5762132208107051
Energy: 0.5970229416777116
Energy: 0.5878722058004396
Energy: 0.5502876185109711
Energy: 0.6205026870931641
Energy: 0.6153702703578523
Energy: 0.5679408685092218
Energy: 0.6595297335984838
Energy: 0.6275532087044373
Energy: 0.59294178503446
Energy: 0.6256232175640942
Energy: 0.5892480277950682
Energy: 0.6108157002087686
Energy: 0.6196410541520442
Energy: 0.6062995224957698
Energy: 0.626886085427228
Energy: 0.5322361798212001
Energy: 0.5768857907219729
Energy: 0.6236779425853849
Energy: 0.5709784261441179
Energy: 0.5946044312429369
Energy: 0.6389851697954361
Energy: 0.6412247237560845
Energy: 0.5610706625408312
Energy: 0.6241360137588967
Energy: 0.6165275999114979
Energy: 0.568611653660423

minimum gb energy = 0.4240098653084803 eV
minimum distance =  2.58511674035813 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.5734506385026772
Energy: 0.7099036131760009
Energy: 0.5994342572979441
Energy: 0.5859125651290356
Energy: 0.6538241727530438
Energy: 0.5865500533178426
Energy: 0.5403144151419097
Energy: 0.46905291133333976
Energy: 0.5343048741951565
Energy: 0.47297267182651653
Energy: 0.5244577389640624
Energy: 0.527435516081928
Energy: 0.5380502389634046
Energy: 0.5038772260906511
Energy: 0.4985928909586643
Energy: 0.5433755125189199
Energy: 0.5420500207486134
Energy: 0.49399988455196076
Energy: 0.473171554991081
Energy: 0.5140903933199631
Energy: 0.5461634535387975
Energy: 0.46622184431417035
Energy: 0.5562951106135828
Energy: 0.47242964882947885
Energy: 0.5283359549387382
Energy: 0.4647139199966542
Energy: 0.4939072727859262
Energy: 0.4970005993158135
Energy: 0.48522938309325475
Energy: 0.4995798646460965
Energy: 0.5488543421089135
Energy: 0.46996803702845047
Energy: 0.49917320776259244
Energy: 0.5294994009954812
Energy: 0.47021539942418283
Energy: 0.5035702552315297
Energy: 0.515271484622427
Energy: 0.43013480875048654
Energy: 0.44858203937052016
Energy: 0.5089662890483634
Energy: 0.4337433887012687
Energy: 0.5564616521278084
Energy: 0.4933510693706322
Energy: 0.49423337347737417
Energy: 0.4896487439189723
Energy: 0.47704557984991297
Energy: 0.5228174512146501
Energy: 0.4904931680777544
Energy: 0.3978250518715795
Energy: 0.47174596218968756
Energy: 0.463394319424958
Energy: 0.39705443935967794
Energy: 0.5321930647195694
Energy: 0.4482743119670425
Energy: 0.48053589815926623
Energy: 0.4599451706006593
Energy: 0.4652545254318744
Energy: 0.42813864564750426
Energy: 0.46552886579555536
Energy: 0.4603461808958734
Energy: 0.533659084480602
Energy: 0.42741050597231284
Energy: 0.4705669487460055
Energy: 0.49936670646780895
Energy: 0.4121166262423431
Energy: 0.4796766289396828
Energy: 0.4846704032345364
Energy: 0.3867435287576566
Energy: 0.4000399495522515
Energy: 0.49317284206367307
Energy: 0.38122452821805164
Energy: 0.4764888468677706
Energy: 0.48878925331322043
Energy: 0.46888100024629575
Energy: 0.46067453639833167
Energy: 0.48640611526572347
Energy: 0.4974794011240477
Energy: 0.47709248645213764
Energy: 0.36751414740886373
Energy: 0.5373327682554042
Energy: 0.4171066347964063
Energy: 0.37075425267707246
Energy: 0.4809308520172239
Energy: 0.3855544715171736
Energy: 0.4512286466263559
Energy: 0.46563123555021674
Energy: 0.48073844853242087
Energy: 0.3967203503632762
Energy: 0.48254327654847734
Energy: 0.47821712057824456
Energy: 0.5142056595453567
Energy: 0.3918047175099406
Energy: 0.45679308852949196
Energy: 0.48557490859446445
Energy: 0.38528492312402035
Energy: 0.43671795040869493
Energy: 0.4801393151784173
Energy: 0.3742962886352614
Energy: 0.3961561154421285
Energy: 0.4838841839530469
Energy: 0.3704598243883957
Energy: 0.4341250467961739
Energy: 0.48210529429623916
Energy: 0.47866143163615865
Energy: 0.45757921474745095
Energy: 0.49474680213953226
Energy: 0.4942977253256035
Energy: 0.4785114665342133
Energy: 0.35510618074464234
Energy: 0.5077437959373372
Energy: 0.39651122433386854
Energy: 0.355771556778772
Energy: 0.4728700596980077
Energy: 0.37371139882122334
Energy: 0.484292666694691
Energy: 0.5074419833649952
Energy: 0.4767710831696856
Energy: 0.48561841234128544
Energy: 0.48478165419782254
Energy: 0.4790208747977242
Energy: 0.4978848700958919
Energy: 0.38994722992282443
Energy: 0.41065727240803473
Energy: 0.46668847029736343
Energy: 0.37698223209608545
Energy: 0.44077049845258603
Energy: 0.525060268297128
Energy: 0.4009344466644999
Energy: 0.4306088842663991
Energy: 0.5071738870021404
Energy: 0.3837398457048944
Energy: 0.4431580788312856
Energy: 0.43783560135203964
Energy: 0.4675931425675196
Energy: 0.4839524356144181
Energy: 0.4278087389962129
Energy: 0.4703564072390284
Energy: 0.49005952035953193
Energy: 0.37218082099970806
Energy: 0.560190298158876
Energy: 0.4149092067946841
Energy: 0.38604291230627835
Energy: 0.5037736640864579
Energy: 0.3985566781421693
Energy: 0.487358345675495
Energy: 0.48760578909342533
Energy: 0.4923355988858652
Energy: 0.48230930735353506
Energy: 0.5045602809505288
Energy: 0.497227111317603
Energy: 0.49149463342598015
Energy: 0.4066139141356832
Energy: 0.4068542768640879
Energy: 0.4957550843451199
Energy: 0.39755143629139167
Energy: 0.4617652306998086
Energy: 0.5441379318713915
Energy: 0.43630872038943314
Energy: 0.4728747430982239
Energy: 0.5283678527361528
Energy: 0.4266757764598394
Energy: 0.5005364520121793
Energy: 0.4546398139015419
Energy: 0.47969474361394904
Energy: 0.476669565245894
Energy: 0.5325752454632503
Energy: 0.47774071357852343
Energy: 0.49142646386378547
Energy: 0.42583390120513115
Energy: 0.4968591421872925
Energy: 0.4791819515862193
Energy: 0.42844542464421675
Energy: 0.5243624767764032
Energy: 0.46124375311121274
Energy: 0.4885176598156302
Energy: 0.5094304158618724
Energy: 0.49332316993180414
Energy: 0.5029923942990487
Energy: 0.5311029771311792
Energy: 0.5093918761118145
Energy: 0.5240208326286143
Energy: 0.4927140200955817
Energy: 0.505063923513999
Energy: 0.491627423042004
Energy: 0.4876114924189006
Energy: 0.5609568772719692
Energy: 0.5654774004222438
Energy: 0.5249421652528667
Energy: 0.49747089902391767
Energy: 0.5526820520104736
Energy: 0.5055800304879062
Energy: 0.5226827019724791
Energy: 0.5652148864077685
Energy: 0.46763133967235865
Energy: 0.49248388148179495
Energy: 0.5131918704202507
Energy: 0.5322339967391103
Energy: 0.522892040549242
Energy: 0.4964537663450263
Energy: 0.543741786692247
Energy: 0.5122329512242839
Energy: 0.5019466798965295
Energy: 0.6091922769497021
Energy: 0.5223097756000235
Energy: 0.5184757045904742
Energy: 0.5054895812792666
Energy: 0.5395360694546697
Energy: 0.5336359996844218
Energy: 0.5752593060195713
Energy: 0.5005804022990626
Energy: 0.5457413719839341
Energy: 0.4981428633858005
Energy: 0.5146681719752368
Energy: 0.5604381885715986
Energy: 0.4955888625353882
Energy: 0.5324647828913431

minimum gb energy = 0.35510618074464234 eV
minimum distance =  2.56941105322947 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.08720512358484306
Energy: 0.23197266098332697
Energy: 0.1305842072612239
Energy: 0.08848445306693854
Energy: 0.2372358226617653
Energy: 0.10707765407371994
Energy: 0.13198307642240797
Energy: 0.11351107631942857
Energy: 0.11014800475287091
Energy: 0.202530584791412
Energy: 0.12512604815776562
Energy: 0.16220749954165803
Energy: 0.18793387887740826
Energy: 0.12963972108050367
Energy: 0.14878421859765317
Energy: 0.1584991279548329
Energy: 0.10221772007887159
Energy: 0.1432101274672602
Energy: 0.10086401817224355
Energy: 0.14847838405282796
Energy: 0.13465636700627165
Energy: 0.09409241173761863
Energy: 0.14323765180254
Energy: 0.13633149416707202
Energy: 0.1274985086537141
Energy: 0.29348754468883764
Energy: 0.12592937877511892
Energy: 0.12146002107693075
Energy: 0.24427093863862812
Energy: 0.21484218609626415
Energy: 0.08765042461127413
Energy: 0.15839742764031015
Energy: 0.14280192801862693
Energy: 0.08880036078933003
Energy: 0.15761228203612393
Energy: 0.10966323862157479
Energy: 0.16781881751407993
Energy: 0.12259383537292949
Energy: 0.12854186716586774
Energy: 0.14669086867772996
Energy: 0.0971825295669794
Energy: 0.21979561869745382
Energy: 0.18667392812211403
Energy: 0.08753948901827256
Energy: 0.14185417472168269
Energy: 0.1315445045847917
Energy: 0.10913502495192928
Energy: 0.11848905004623374
Energy: 0.08904653319386464
Energy: 0.15194665453239461
Energy: 0.12018377857396623
Energy: 0.0906224114798893
Energy: 0.10534120830121005
Energy: 0.14264880839590888
Energy: 0.12930303779121577
Energy: 0.1778761050378945
Energy: 0.1476717007959795
Energy: 0.11578518775853813
Energy: 0.2350833623122969
Energy: 0.18323465255486587

minimum gb energy = 0.08720512358484306 eV
minimum distance =  2.78509662327825 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.6075979509736246
Energy: 0.7673067453316654
Energy: 0.6749882260074375
Energy: 0.6056170530400872
Energy: 0.7358338322591026
Energy: 0.5903102932560044
Energy: 0.534718444164679
Energy: 0.5376662228808682
Energy: 0.553025393072882
Energy: 0.5293223803427751
Energy: 0.5123536655882522
Energy: 0.5672248239015393
Energy: 0.5319602958847846
Energy: 0.5618012524379503
Energy: 0.546816621300608
Energy: 0.5272117617680475
Energy: 0.6229137766102758
Energy: 0.5679694828310599
Energy: 0.4681621780450027
Energy: 0.5647444785880734
Energy: 0.5137261335124773
Energy: 0.47010914909671003
Energy: 0.5532408443373064
Energy: 0.5346022778664673
Energy: 0.5183079239559399
Energy: 0.5509310816536691
Energy: 0.5291799245442691
Energy: 0.5098573671930458
Energy: 0.5332421522745228
Energy: 0.555159293320908
Energy: 0.579164049894763
Energy: 0.6058977135412608
Energy: 0.539287764355799
Energy: 0.5736307494683456
Energy: 0.5750535373770426
Energy: 0.5019276436718796
Energy: 0.5010600057175768
Energy: 0.5052927180504101
Energy: 0.5230095556569733
Energy: 0.49643021379286856
Energy: 0.45323871479553096
Energy: 0.49377799166823255
Energy: 0.47223402158639166
Energy: 0.5294439357458522
Energy: 0.5001413293078462
Energy: 0.4833083540385311
Energy: 0.5288684627113377
Energy: 0.5015128369277847
Energy: 0.4746465244858913
Energy: 0.5516160702507936
Energy: 0.5367621737622106
Energy: 0.4892324871730092
Energy: 0.5015628466984066
Energy: 0.5167568387841021
Energy: 0.49431423488327575
Energy: 0.44047535646263
Energy: 0.4632225266424063
Energy: 0.47834058100404236
Energy: 0.44280157928690345
Energy: 0.4731595795227955
Energy: 0.5268317878582066
Energy: 0.484696933726839
Energy: 0.5045606950529609
Energy: 0.5324922589518842
Energy: 0.478218041591076
Energy: 0.49219539338110885
Energy: 0.4148118169676319
Energy: 0.46416516225303667
Energy: 0.4812146482220349
Energy: 0.4164703119048389
Energy: 0.4655861442008446
Energy: 0.43985796683326217
Energy: 0.42233872208286166
Energy: 0.4874919618811817
Energy: 0.48170338505684784
Energy: 0.4122508225456447
Energy: 0.49803310779614685
Energy: 0.4713038418109349
Energy: 0.4730509405405486
Energy: 0.5099952245894042
Energy: 0.48498941913792354
Energy: 0.473511123136803
Energy: 0.47296761846682245
Energy: 0.47889339716499085
Energy: 0.42837851871729155
Energy: 0.3971580030041188
Energy: 0.4109147544823305
Energy: 0.4507141781666659
Energy: 0.3960854188918389
Energy: 0.42825424106489607
Energy: 0.4852753135521077
Energy: 0.4652357128918362
Energy: 0.4347120403249354
Energy: 0.5158738080477934
Energy: 0.46334536738877613
Energy: 0.45199014560881745
Energy: 0.3881943497558145
Energy: 0.45546127198480324
Energy: 0.4587332159490579
Energy: 0.39133499416357265
Energy: 0.4671997511592335
Energy: 0.42082175149204976
Energy: 0.4084771884985951
Energy: 0.4717309506255913
Energy: 0.46608553509683953
Energy: 0.4022186084843927
Energy: 0.4881009236620737
Energy: 0.4602945777798098
Energy: 0.49513364219187456
Energy: 0.4520017630204756
Energy: 0.4752592798669972
Energy: 0.49932354176587035
Energy: 0.4548289405773561
Energy: 0.4584741909903744
Energy: 0.43934372779858966
Energy: 0.400299396166335
Energy: 0.42029677507384444
Energy: 0.43109702607552297
Energy: 0.39790745746079936
Energy: 0.42176393584259597
Energy: 0.4588770412787263
Energy: 0.47225447966862066
Energy: 0.46117536861732655
Energy: 0.4628318649662011
Energy: 0.4906287278838286
Energy: 0.43323425337134047
Energy: 0.3921637716873432
Energy: 0.4689421121720609
Energy: 0.4552986879335347
Energy: 0.39328536197405695
Energy: 0.4501127569991965
Energy: 0.44033822731857863
Energy: 0.4111866154786776
Energy: 0.4714627542548705
Energy: 0.49779235212362016
Energy: 0.41620437770342994
Energy: 0.4954080875821787
Energy: 0.5019107402023706
Energy: 0.5240087140607026
Energy: 0.41983812392232295
Energy: 0.4720701032203529
Energy: 0.5332457921771211
Energy: 0.4345671714676408
Energy: 0.4813417847895902
Energy: 0.46994857782972826
Energy: 0.4223872781146306
Energy: 0.44853136830220003
Energy: 0.45329046868252526
Energy: 0.4098212302743374
Energy: 0.48881212979301947
Energy: 0.46885145780524595
Energy: 0.5053815469465881
Energy: 0.46514670126086655
Energy: 0.46476824402858335
Energy: 0.51229602955344
Energy: 0.47975634989365534
Energy: 0.43197266853899524
Energy: 0.5080549440989066
Energy: 0.4635998311786597
Energy: 0.44310625219142497
Energy: 0.5045919747116387
Energy: 0.48462639387095385
Energy: 0.45876117062794675
Energy: 0.5196390366237768
Energy: 0.5226820752416946
Energy: 0.47193658215762463
Energy: 0.487197153492803
Energy: 0.5561562121070445
Energy: 0.5570824629543667
Energy: 0.5085021757687961
Energy: 0.5046832953208917
Energy: 0.5447201743575218
Energy: 0.4835893635469434
Energy: 0.4884640423251165
Energy: 0.48614690560192875
Energy: 0.5231061261907152
Energy: 0.5181029257677752
Energy: 0.4837545338729171
Energy: 0.47806417828226355
Energy: 0.5786935280822176
Energy: 0.5198010909118496
Energy: 0.549906019221663
Energy: 0.5149618058201237
Energy: 0.47868447421339794
Energy: 0.5412596796575841
Energy: 0.5092737991060404
Energy: 0.5154502977199781
Energy: 0.5687301375883322
Energy: 0.552168452434254
Energy: 0.5251204102006091
Energy: 0.49214474659787266
Energy: 0.5500165117235578
Energy: 0.5427575882858111
Energy: 0.47747408516976797
Energy: 0.4866181636662023
Energy: 0.5443627682519581
Energy: 0.5246244278486184
Energy: 0.6121408898635533

minimum gb energy = 0.3881943497558145 eV
minimum distance =  2.5794629005089 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.6052638665470681
Energy: 0.7751478130533961
Energy: 0.6701544645061166
Energy: 0.6066652035883754
Energy: 0.8520987350430661
Energy: 0.7032041268377404
Energy: 0.5986767301400673
Energy: 0.5891914848888005
Energy: 0.5958317623705552
Energy: 0.6280771645079811
Energy: 0.6013156254330316
Energy: 0.6440773490214184
Energy: 0.5974748501789369
Energy: 0.5946942336134686
Energy: 0.6927463032509162
Energy: 0.6000600948390015
Energy: 0.6207024534937678
Energy: 0.6061540764452825
Energy: 0.5784504854450403
Energy: 0.6770837338012271
Energy: 0.6173710736259687
Energy: 0.5776827759558704
Energy: 0.5762947124232991
Energy: 0.6035791983033836
Energy: 0.5829937522425596
Energy: 0.6188709753756643
Energy: 0.6319821357698003
Energy: 0.5691419116138732
Energy: 0.6314298753406272
Energy: 0.6371914466103044
Energy: 0.5860732309985678
Energy: 0.6348273099666586
Energy: 0.5895774967098208
Energy: 0.6460878213147417
Energy: 0.6246810322389578
Energy: 0.5856920495564691
Energy: 0.5576177579627931
Energy: 0.6057021961023595
Energy: 0.5614009689672549
Energy: 0.5514004301377798
Energy: 0.5318934579918583
Energy: 0.6020877460962565
Energy: 0.5283613504532527
Energy: 0.5559788366413475
Energy: 0.5667029366465853
Energy: 0.5361295802842359
Energy: 0.5926558861738527
Energy: 0.5536768946424603
Energy: 0.5340046582681893
Energy: 0.601684712209911
Energy: 0.5753029421429662
Energy: 0.5643337111792222
Energy: 0.5787899327891397
Energy: 0.5766920536232301
Energy: 0.5388845983889323
Energy: 0.47653255924562077
Energy: 0.5313302024451334
Energy: 0.5358106644453526
Energy: 0.47443975234117736
Energy: 0.5276072145992542
Energy: 0.5714248744431994
Energy: 0.5633137318350437
Energy: 0.5368222426405328
Energy: 0.5846620744516519
Energy: 0.5313509287836148
Energy: 0.5493618303342008
Energy: 0.47023217645631893
Energy: 0.5348044977681762
Energy: 0.5361527713888682
Energy: 0.47883777080290674
Energy: 0.5383055066033456
Energy: 0.4727236150657521
Energy: 0.46066864899152193
Energy: 0.527859031279596
Energy: 0.5277851758214023
Energy: 0.4791503991354971
Energy: 0.5649703952963642
Energy: 0.4953820235612669
Energy: 0.5406467211398269
Energy: 0.5591444421162011
Energy: 0.5314377398280974
Energy: 0.5618816535790436
Energy: 0.5288985530639992
Energy: 0.5368905272116856
Energy: 0.5106383235708153
Energy: 0.4600523599342929
Energy: 0.4659145884597379
Energy: 0.5119388600351777
Energy: 0.45829285018383725
Energy: 0.4958940626025958
Energy: 0.5052067299066795
Energy: 0.5519606078344579
Energy: 0.5287599693431091
Energy: 0.5338696084341447
Energy: 0.5413175660523541
Energy: 0.514596458297545
Energy: 0.4879841713201817
Energy: 0.5449710438897738
Energy: 0.542157528059687
Energy: 0.47633267511048544
Energy: 0.5573114284747669
Energy: 0.5321337614402167
Energy: 0.5080924801433274
Energy: 0.5657185390455187
Energy: 0.5852327618621286
Energy: 0.5123703899595343
Energy: 0.5203303662267023
Energy: 0.6236769136683447
Energy: 0.5694278537337614
Energy: 0.5827822556893983
Energy: 0.5658125472303672
Energy: 0.6440510046447601
Energy: 0.5651518058946681
Energy: 0.5727115007005923
Energy: 0.5263666480202889
Energy: 0.543966460139306
Energy: 0.5557497493236241
Energy: 0.5491528704027654
Energy: 0.5516748780651183
Energy: 0.5831914316272365
Energy: 0.602297656539333
Energy: 0.6167553246152032
Energy: 0.5924460720291884
Energy: 0.5893929738695567
Energy: 0.5845682271005429
Energy: 0.5815973916036568
Energy: 0.6059256386570923
Energy: 0.5680766278855988
Energy: 0.6063720746564931
Energy: 0.5933973120648023
Energy: 0.5986187379352836
Energy: 0.5880573933968168
Energy: 0.5856649407403367
Energy: 0.610591287262178
Energy: 0.6339717841825614
Energy: 0.5969579733511288
Energy: 0.5974141710101246
Energy: 0.6766416825808208

minimum gb energy = 0.45829285018383725 eV
minimum distance =  2.56603000689472 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.6968888358563349
Energy: 0.794946173764171
Energy: 0.7383456544528272
Energy: 0.6906048923154893
Energy: 0.7931443150651404
Energy: 0.6619476370256864
Energy: 0.6274620111388761
Energy: 0.624647599309206
Energy: 0.6341675819353405
Energy: 0.6439350202226379
Energy: 0.612839741086476
Energy: 0.662482128715374
Energy: 0.6223580229599651
Energy: 0.673658605019861
Energy: 0.644892368456638
Energy: 0.6466970431998494
Energy: 0.7049869586919302
Energy: 0.6557269372916421
Energy: 0.6079623869264529
Energy: 0.6664570304425099
Energy: 0.6349316516482968
Energy: 0.603050174762381
Energy: 0.6470991671623412
Energy: 0.64690848285985
Energy: 0.600325385583945
Energy: 0.6491401394780181
Energy: 0.6523450156412623
Energy: 0.5982731966195441
Energy: 0.6204913991870522
Energy: 0.651685698409846
Energy: 0.6565791093220398
Energy: 0.6559868408647549
Energy: 0.6493254465457785
Energy: 0.6476777818106412
Energy: 0.6660190621864005
Energy: 0.6041160985365973
Energy: 0.5640705087935906
Energy: 0.6065723132942709
Energy: 0.6308654909606828
Energy: 0.5608315103504533
Energy: 0.5991593676522358
Energy: 0.6303732340738025
Energy: 0.540007349326805
Energy: 0.6100107562549785
Energy: 0.5917831145573276
Energy: 0.5328540309706534
Energy: 0.6103090994585715
Energy: 0.5791008226220816
Energy: 0.5591540882502962
Energy: 0.614810882082005
Energy: 0.5833427383536028
Energy: 0.5882916171239762
Energy: 0.5643258675786728
Energy: 0.5800378302666018
Energy: 0.5494345430616071
Energy: 0.492673445070534
Energy: 0.5374021527432415
Energy: 0.5523343225211825
Energy: 0.49116086220298005
Energy: 0.5467330791274252
Energy: 0.5565170829379407
Energy: 0.5712266254212878
Energy: 0.5632934627115512
Energy: 0.5955008702034794
Energy: 0.5563257991495197
Energy: 0.5684283493816985
Energy: 0.5004199786242528
Energy: 0.5724099950795116
Energy: 0.5667199252911453
Energy: 0.49550018261532425
Energy: 0.5735901916424583
Energy: 0.5168502890874312
Energy: 0.5021268302067005
Energy: 0.5781397702324578
Energy: 0.6125144274866574
Energy: 0.518494173642129
Energy: 0.5615492822277359
Energy: 0.5638267376308349
Energy: 0.6047913748027822
Energy: 0.6103774602625471
Energy: 0.5856236138638268
Energy: 0.5836969209586672
Energy: 0.5817553142187012
Energy: 0.554798519074161
Energy: 0.5518807253946808
Energy: 0.545973308481376
Energy: 0.5746638584987735
Energy: 0.5486349691480324
Energy: 0.5446170283422516
Energy: 0.5915905519276047
Energy: 0.6187878680511021
Energy: 0.6275188570931086
Energy: 0.615063199797457
Energy: 0.612726340001279
Energy: 0.6054759186314806
Energy: 0.6335067498994486
Energy: 0.6074980640762648
Energy: 0.6379686665347085
Energy: 0.6399601057634957
Energy: 0.6293168813411439
Energy: 0.6478894725934166
Energy: 0.6102760650031833
Energy: 0.6211508108666792
Energy: 0.6164303497150292
Energy: 0.6374990883170782
Energy: 0.6186947772641815
Energy: 0.6046742512407063
Energy: 0.6439103202177922
Energy: 0.6678244194648165
Energy: 0.6494190406320287
Energy: 0.711192098850308
Energy: 0.6787294130410197
Energy: 0.6418711954020945
Energy: 0.6474460039074063
Energy: 0.6112774921888721
Energy: 0.6247355995816769
Energy: 0.6255088152125589
Energy: 0.6151488615704569
Energy: 0.6229203730456053
Energy: 0.644573614405602
Energy: 0.6151981309760597
Energy: 0.687557874101246
Energy: 0.6518776314981256
Energy: 0.6157164572268649
Energy: 0.6226000289963572
Energy: 0.635037923322057
Energy: 0.6079302452652481
Energy: 0.6764037499126586
Energy: 0.6371039091218108
Energy: 0.61336692823567
Energy: 0.7079649216334014
Energy: 0.6998212156272237
Energy: 0.5768542576430188
Energy: 0.6265044608022471
Energy: 0.6393247567143333
Energy: 0.5885692940890186
Energy: 0.611982266809621
Energy: 0.6505935805841436
Energy: 0.6503559374295528
Energy: 0.6556905006731689
Energy: 0.6703515725877328
Energy: 0.6457839889654359
Energy: 0.6644830095466394
Energy: 0.6403191046585569
Energy: 0.5655669809511391
Energy: 0.6165575583337474
Energy: 0.6457223382872287
Energy: 0.5687000285675732
Energy: 0.6101072941765034
Energy: 0.6708315703761333
Energy: 0.5318554370788602
Energy: 0.6028865010311237
Energy: 0.5772609226805849
Energy: 0.5431281024448802
Energy: 0.6220055864180792
Energy: 0.5806393044670721
Energy: 0.5729776097694693
Energy: 0.5945218135358072
Energy: 0.5922848316416599
Energy: 0.5811986967620574
Energy: 0.5789551822961468
Energy: 0.5757389500275348
Energy: 0.5406482024004919
Energy: 0.49662733219418836
Energy: 0.5258459476996468
Energy: 0.5415622841062852
Energy: 0.504761566702879
Energy: 0.5428921472653785
Energy: 0.5855308104940893
Energy: 0.5536261116917787
Energy: 0.5751231118145603
Energy: 0.5902246180002698
Energy: 0.5514379547635586
Energy: 0.5705150221063437
Energy: 0.5055617833112062
Energy: 0.5973877839287689
Energy: 0.5884057720064619
Energy: 0.507210408138398
Energy: 0.5736452609190706
Energy: 0.548035361708911
Energy: 0.505751074314443
Energy: 0.5689887395936006
Energy: 0.5782247427583409
Energy: 0.5128548630623988
Energy: 0.568476192134473
Energy: 0.5313377282687504
Energy: 0.5844461683394228
Energy: 0.576174564965083
Energy: 0.5795609470828217
Energy: 0.6050556109055852
Energy: 0.5725908438131042
Energy: 0.5702152042282558
Energy: 0.5589098498111994
Energy: 0.5570538777796309
Energy: 0.5705568622405011
Energy: 0.5544722363803016
Energy: 0.5500539009358412
Energy: 0.5832369231173259
Energy: 0.6000744752979449
Energy: 0.6299136256227726
Energy: 0.6649215203820006
Energy: 0.6094030550595645
Energy: 0.5760969817568408
Energy: 0.6580340428310341
Energy: 0.6162279539604397
Energy: 0.6286557739617237
Energy: 0.6256701186607155
Energy: 0.6203550429925675
Energy: 0.6099030713640886
Energy: 0.6247716770683076
Energy: 0.6268527381314575
Energy: 0.6260999765035953
Energy: 0.6455719015489504
Energy: 0.6192323301452705
Energy: 0.6277533758793487
Energy: 0.6486597399247357
Energy: 0.6750071360604835
Energy: 0.6267306816195328
Energy: 0.6729715435482748
Energy: 0.6841475756966596
Energy: 0.640226618663834
Energy: 0.6470514091515066

minimum gb energy = 0.49116086220298005 eV
minimum distance =  2.55858869041127 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.6454899401438489
Energy: 0.8856149383596852
Energy: 0.7496974930303082
Energy: 0.6498294717423436
Energy: 0.892561449901356
Energy: 0.8196266511897543
Energy: 0.6584821938455497
Energy: 0.6407986941371794
Energy: 0.6547202819812996
Energy: 0.6401707618542946
Energy: 0.619157721999829
Energy: 0.6748594723718337
Energy: 0.6407103376451642
Energy: 0.6816227081762096
Energy: 0.6758149732508019
Energy: 0.6278643867394371
Energy: 0.7078069808758836
Energy: 0.6533921183333331
Energy: 0.6225960628390821
Energy: 0.6842110052616218
Energy: 0.6711084359579832
Energy: 0.6224701441445415
Energy: 0.6361264041767121
Energy: 0.6518973597152922
Energy: 0.5952001806450841
Energy: 0.6449994195492492
Energy: 0.6752647934533138
Energy: 0.6053117753452137
Energy: 0.625565382650292
Energy: 0.6782828469314018
Energy: 0.625619937411279
Energy: 0.6680715365516485
Energy: 0.6626992644089542
Energy: 0.6372737737881403
Energy: 0.6738492181515878
Energy: 0.6693064293503987
Energy: 0.5684797982808911
Energy: 0.6439668447932676
Energy: 0.6489233715029155
Energy: 0.5790663043463281
Energy: 0.6211029749727787
Energy: 0.6287680808887375
Energy: 0.5465913249456447
Energy: 0.624220752051628
Energy: 0.6064210084767054
Energy: 0.5562234666628342
Energy: 0.6266891395678776
Energy: 0.5946772820461446
Energy: 0.5704718039720036
Energy: 0.6036342964633017
Energy: 0.6162755645057786
Energy: 0.6060408230994959
Energy: 0.6107048770587162
Energy: 0.6231867697177493
Energy: 0.5828753331754756
Energy: 0.5749645944959224
Energy: 0.5697600549192107
Energy: 0.5823358071581624
Energy: 0.5513544960493402
Energy: 0.5765033638532074
Energy: 0.6121558236076551
Energy: 0.6139772123228536
Energy: 0.6612010490915151
Energy: 0.6245481148790684
Energy: 0.579461450397011
Energy: 0.6546250530691877
Energy: 0.6395384310280807
Energy: 0.635348356979
Energy: 0.634768835786598
Energy: 0.6393041575901042
Energy: 0.6663838047048266
Energy: 0.6247165135566398
Energy: 0.6322933721255793
Energy: 0.613792575693762
Energy: 0.6567503121540326
Energy: 0.6378969673711427
Energy: 0.6136545824994947
Energy: 0.668172169603535
Energy: 0.6502661605769543
Energy: 0.6358163210488157
Energy: 0.6927273261382367
Energy: 0.6508370048372625
Energy: 0.6711488071197126
Energy: 0.7061012838896197

minimum gb energy = 0.5465913249456447 eV
minimum distance =  2.58404042800384 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.8162109328760195
Energy: 1.0520252722118306
Energy: 0.8701919567963217
Energy: 0.8241123441646598
Energy: 0.9938815158494074
Energy: 0.8259980508619287
Energy: 0.6631083347601625
Energy: 0.5846253563561491
Energy: 0.6094272319864036
Energy: 0.6486361018676852
Energy: 0.5764899636163808
Energy: 0.6238351447236592
Energy: 0.630576379698028
Energy: 0.6895233726019222
Energy: 0.690182449674055
Energy: 0.6323334457165376
Energy: 0.6558224454344674
Energy: 0.6706810758044262
Energy: 0.624202742775235
Energy: 0.689023172289691
Energy: 0.6705648389701114
Energy: 0.6136846135230327
Energy: 0.6277330071117322
Energy: 0.6632096217439566
Energy: 0.6004760186014866
Energy: 0.5807690736591661
Energy: 0.5986476635768513
Energy: 0.5973542326546146
Energy: 0.5778076940580448
Energy: 0.6281028824819079
Energy: 0.6403882915617652
Energy: 0.6096207252787255
Energy: 0.6401587417625358
Energy: 0.6385567648607257
Energy: 0.605984909094913
Energy: 0.6504880567858744
Energy: 0.6025514982341951
Energy: 0.6624068782337915
Energy: 0.6511092685835427
Energy: 0.601102689612238
Energy: 0.6111079848989218
Energy: 0.6380287003822791
Energy: 0.5668505572479291
Energy: 0.6059461075005641
Energy: 0.6242835147874536
Energy: 0.5653811879763457
Energy: 0.5981995317910614
Energy: 0.5966434618855391
Energy: 0.6420601419446721
Energy: 0.6561130831205422
Energy: 0.6593787433709093
Energy: 0.6406168006824429
Energy: 0.6167960472437926
Energy: 0.6601687282889023
Energy: 0.6341579832748891
Energy: 0.6415641206425279
Energy: 0.657042376991417
Energy: 0.6165654566277778
Energy: 0.6367628201288514
Energy: 0.6886643155604791
Energy: 0.5740433515095567
Energy: 0.6141104030321904
Energy: 0.6298056794998927
Energy: 0.5642881123841734
Energy: 0.6108953143209623
Energy: 0.6060170082964517
Energy: 0.5805850811308035
Energy: 0.7115888444639225
Energy: 0.6755180694821886
Energy: 0.5794866023804194
Energy: 0.7826262136473136
Energy: 0.6731358770894068
Energy: 0.575857477269293
Energy: 0.6498253619719773
Energy: 0.633783872029464
Energy: 0.5801107401017336
Energy: 0.6334576018263683
Energy: 0.6042388634632352
Energy: 0.7041994193745902
Energy: 0.642144521231614
Energy: 0.6618136079595448
Energy: 0.7106533469622464
Energy: 0.6364541292490411
Energy: 0.6909808700583119
Energy: 0.5925306962010124
Energy: 0.622640896240006
Energy: 0.6767211210595787
Energy: 0.6004015382170714
Energy: 0.6097423707060452
Energy: 0.6660137728439202
Energy: 0.549254166377891
Energy: 0.6162062141648966
Energy: 0.6145267676788941
Energy: 0.5537991618451167
Energy: 0.5924571103253118
Energy: 0.5845471223379193
Energy: 0.5858820429208405
Energy: 0.6144783448814818
Energy: 0.6471200509042585
Energy: 0.5906487280947594
Energy: 0.614352598612533
Energy: 0.6429115199108717
Energy: 0.6720876804494084
Energy: 0.6616311362375489
Energy: 0.6623925754399939
Energy: 0.6768167613841514
Energy: 0.6606146650362373
Energy: 0.66238585185328
Energy: 0.5913196750186243
Energy: 0.6030398167454297
Energy: 0.6264944635856038
Energy: 0.584060692799737
Energy: 0.6004579670203767
Energy: 0.6236937079860008
Energy: 0.6321102066669548
Energy: 0.7039587841310477
Energy: 0.704015635690414
Energy: 0.6327132214464029
Energy: 0.6613377101112442
Energy: 0.6445472271723698
Energy: 0.5938257211683057
Energy: 0.6126349929093935
Energy: 0.6573708347742525
Energy: 0.5873501945457177
Energy: 0.628689114023968
Energy: 0.6277434592675918
Energy: 0.6116621221564718
Energy: 0.6013274427484229
Energy: 0.6111879808198428
Energy: 0.6092355336263723
Energy: 0.5977249984298167
Energy: 0.6263778799916736
Energy: 0.7731350832940969
Energy: 0.6353614773112278
Energy: 0.6713350623391755
Energy: 0.6481856150796879
Energy: 0.634457876246731
Energy: 0.675883078783135
Energy: 0.5984909680171935
Energy: 0.6047717672903024
Energy: 0.6128292021514323
Energy: 0.5951274966184336
Energy: 0.5841589624642499
Energy: 0.6098131717314077
Energy: 0.6431165170421457
Energy: 0.694628641916465
Energy: 0.6816162343514319
Energy: 0.6193389077560834
Energy: 0.6384739469870877
Energy: 0.6644643918269166
Energy: 0.6062073751293354
Energy: 0.6196934889154406
Energy: 0.6430711154235232
Energy: 0.5998427928587575
Energy: 0.5972405014430262
Energy: 0.6403959703367754
Energy: 0.5931461841424568
Energy: 0.5528411254190321
Energy: 0.5989281086966368
Energy: 0.5888846187678461
Energy: 0.5548084467969262
Energy: 0.6279694857039568
Energy: 0.5849883963790341
Energy: 0.6005829486885682
Energy: 0.6714788462250905
Energy: 0.6248330885736462
Energy: 0.5942682258942796
Energy: 0.6656171261401133
Energy: 0.6547791654154428
Energy: 0.6145540623610775
Energy: 0.696647433165132
Energy: 0.6525768050866438
Energy: 0.6666800439133512
Energy: 0.6788244570108797
Energy: 0.6360797095462677
Energy: 0.5860498501504614
Energy: 0.6028928019918923
Energy: 0.637035380745049
Energy: 0.584222461271799
Energy: 0.6330784375860548
Energy: 0.8195445918778607
Energy: 0.5852669025739047
Energy: 0.6381675180559256
Energy: 0.8267384207708557
Energy: 0.5877076124742253
Energy: 0.6498018701979209

minimum gb energy = 0.549254166377891 eV
minimum distance =  2.58077496275486 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 0.7594857890317883
Energy: 1.014536010479001
Energy: 0.722474366547515
Energy: 0.7557456938270782
Energy: 0.9831323512648329
Energy: 0.7222715893049152
Energy: 0.6055251181546094
Energy: 0.5819285300524604
Energy: 0.6097153492432774
Energy: 0.595796401529232
Energy: 0.583958709559151
Energy: 0.6169766689045965
Energy: 0.5631908113621111
Energy: 0.6069316924338526
Energy: 0.6787636586034808
Energy: 0.567904013914548
Energy: 0.652204253978996
Energy: 0.5952242094456395
Energy: 0.5395380383873437
Energy: 0.5832804372494774
Energy: 0.5898205486918129
Energy: 0.5336426103501886
Energy: 0.5592393094301592
Energy: 0.5999780459448234
Energy: 0.6071005971665606
Energy: 0.5720107669849013
Energy: 0.6032199038947185
Energy: 0.5657796431933185
Energy: 0.5784970888333615
Energy: 0.5624553520770755
Energy: 0.605842103322424
Energy: 0.6445046853803204
Energy: 0.6692188292402819
Energy: 0.5853604252693237
Energy: 0.6317262482072009
Energy: 0.6605297325759942
Energy: 0.6348598150347449
Energy: 0.5471889475672665
Energy: 0.5896559616745509
Energy: 0.6370823271521054
Energy: 0.545750543660807
Energy: 0.6578610052055228
Energy: 0.5768634138784732
Energy: 0.5636579496116625
Energy: 0.5718336527799266
Energy: 0.5680698527960092
Energy: 0.5664091375048815
Energy: 0.5519786429634819
Energy: 0.5855249313088915
Energy: 0.5335797568635434
Energy: 0.6235532864010992
Energy: 0.586832159337038
Energy: 0.6069542029781752
Energy: 0.6264195346555007
Energy: 0.5915588965857431
Energy: 0.5940393847961951
Energy: 0.6253359416299357
Energy: 0.5883261909960741
Energy: 0.5693998831447049
Energy: 0.6290777956806536
Energy: 0.5833632699369115
Energy: 0.5764332801549487
Energy: 0.5814009019390549
Energy: 0.5581955216303943
Energy: 0.6072096396375505
Energy: 0.5687839791755078
Energy: 0.6109818913234517
Energy: 0.6773513654723297
Energy: 0.7040635975624179
Energy: 0.6133645454192997
Energy: 0.6723725895309013
Energy: 0.5966368536582027
Energy: 0.5494706877613037
Energy: 0.6073107117493111
Energy: 0.5935309525055082
Energy: 0.5549949329485198
Energy: 0.5804297891639759
Energy: 0.6032001075890278
Energy: 0.665056347474647
Energy: 0.6206706383616656
Energy: 0.6170956678359418
Energy: 0.6626700686703189
Energy: 0.621852971714386
Energy: 0.6326018100807681
Energy: 0.5678699466429243
Energy: 0.532943351692423
Energy: 0.5541239314606207
Energy: 0.5783766341513139
Energy: 0.5320022515129679
Energy: 0.6304461126815825
Energy: 0.5674989899194534
Energy: 0.5354064340430167
Energy: 0.6057670008997007
Energy: 0.561027875611437
Energy: 0.5381201744305328
Energy: 0.561737478669745
Energy: 0.5750727041227274
Energy: 0.5602151434754152
Energy: 0.5507814257985818
Energy: 0.5446926244261807
Energy: 0.5381887662083572
Energy: 0.6276234528860785

minimum gb energy = 0.5320022515129679 eV
minimum distance =  2.58966777673362 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.8883502127332736
Energy: 1.006890073427036
Energy: 0.7896247813255749
Energy: 0.870903483524518
Energy: 1.0136559766016597
Energy: 0.8414370318709891
Energy: 0.6351931804763296
Energy: 0.602368505511873
Energy: 0.6051312246477828
Energy: 0.646708108192542
Energy: 0.6085117611334997
Energy: 0.6176090929622804
Energy: 0.6398115392365797
Energy: 0.6590975413716462
Energy: 0.6446917009565065
Energy: 0.6442033446691244
Energy: 0.6438200657417935
Energy: 0.6410720677846692
Energy: 0.5948762939836876
Energy: 0.6196028125404319
Energy: 0.5816975699683707
Energy: 0.5876574187026634
Energy: 0.6089164101261934
Energy: 0.5913557578795867
Energy: 0.5945719698920624
Energy: 0.6002877495103665
Energy: 0.6116381962802233
Energy: 0.6000754156829641
Energy: 0.6069882374023327
Energy: 0.6216893964106982
Energy: 0.5891700743732782
Energy: 0.5953686970319212
Energy: 0.5920829705800296
Energy: 0.5965906659348458
Energy: 0.5868671517016528
Energy: 0.5973061232981265
Energy: 0.6088518399108894
Energy: 0.7058181170762771
Energy: 0.6489304588696987
Energy: 0.5882890351070227
Energy: 0.6863248711714964
Energy: 0.607501865722705
Energy: 0.609124951663447
Energy: 0.5849972580108594
Energy: 0.5967951499500896
Energy: 0.5780961989512631
Energy: 0.5848907073219001
Energy: 0.589707203768485
Energy: 0.6821275974848526
Energy: 0.6160952078662019
Energy: 0.6041250371859112
Energy: 0.6907491356222438
Energy: 0.6225720000319832
Energy: 0.623767964101559
Energy: 0.6635316125333223
Energy: 0.5855505675509833
Energy: 0.6071649259506877
Energy: 0.6611814537125178
Energy: 0.5776612130165562
Energy: 0.6177519067571565
Energy: 0.5930461353319704
Energy: 0.6211055993921442
Energy: 0.5976487373056151
Energy: 0.5955721040210419
Energy: 0.6028716427222293
Energy: 0.5922535549009876
Energy: 0.5940267331558721
Energy: 0.608561565388845
Energy: 0.611790009816742
Energy: 0.6007284925317472
Energy: 0.6015928488565392
Energy: 0.6092075049989979
Energy: 0.69638848980727
Energy: 0.6243552302412113
Energy: 0.6498456118244333
Energy: 0.6970907475834527
Energy: 0.5753418790725545
Energy: 0.6966980574667351
Energy: 0.6466971232131625
Energy: 0.6218040418611046
Energy: 0.6307455525937169
Energy: 0.648103680890756
Energy: 0.6381987611434221
Energy: 0.5925939774173299
Energy: 0.6176516632352007
Energy: 0.5910931884593286
Energy: 0.587512653122051
Energy: 0.5940627404232288
Energy: 0.648627610798424
Energy: 0.6458702250008311
Energy: 0.6136814079943714
Energy: 0.5982024843149697
Energy: 0.603347242442524
Energy: 0.6407804839667943
Energy: 0.7388532107564734
Energy: 0.5900098193788836
Energy: 0.6071499100188323
Energy: 0.5938817669315588
Energy: 0.5938257194570463
Energy: 0.6082726806802402
Energy: 0.6350650893651916
Energy: 0.6058292862258261
Energy: 0.6523599999888154
Energy: 0.6410558891523516
Energy: 0.6617249910512714
Energy: 0.6627121294042153
Energy: 0.6355105409171461
Energy: 0.6795836796156524
Energy: 0.5998104710273523
Energy: 0.6009733179179035
Energy: 0.5968428573141418
Energy: 0.6028958656398756
Energy: 0.6055988823641543
Energy: 0.5964430521751137
Energy: 0.6359494935187918
Energy: 0.6075366421845727
Energy: 0.5938968247817602
Energy: 0.6204630464465746
Energy: 0.6346286539464713
Energy: 0.5937405473456755
Energy: 0.5933956752812252
Energy: 0.6254798985470781
Energy: 0.6204691817704405
Energy: 0.5853400304641111
Energy: 0.6187692257538429
Energy: 0.6343432637190685

minimum gb energy = 0.5753418790725545 eV
minimum distance =  2.5755832063215 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.5869864113163364
Energy: 0.8788441804166747
Energy: 0.5790118244753951
Energy: 0.5834889790542502
Energy: 0.887245378650046
Energy: 0.5977472193617018
Energy: 0.6449380149515006
Energy: 0.590125276545651
Energy: 0.6200138805958622
Energy: 0.6348273084192193
Energy: 0.6087704961971705
Energy: 0.6047652708380882
Energy: 0.5961637041068102
Energy: 0.6451154842233534
Energy: 0.6203732602573993
Energy: 0.6120290105440555
Energy: 0.5909867416187919
Energy: 0.6302993763641533
Energy: 0.5826364341695867
Energy: 0.6574410672996304
Energy: 0.6466742539899459
Energy: 0.5653706413695614
Energy: 0.6293430851281389
Energy: 0.6091420119106034
Energy: 0.602887935310381
Energy: 0.6241787992770966
Energy: 0.6396142376253421
Energy: 0.6138669552221832
Energy: 0.6247424134831886
Energy: 0.6268274968436629
Energy: 0.5872052811609956
Energy: 0.6087184668897951
Energy: 0.6076046079134211
Energy: 0.5834053017195835
Energy: 0.6270571074716932
Energy: 0.6371140011035307
Energy: 0.5763347556558515
Energy: 0.5785382793049216
Energy: 0.5856164422819174
Energy: 0.5955087438365533
Energy: 0.5807238235870483
Energy: 0.5942740305750202
Energy: 0.6321934808527164
Energy: 0.5991513730452475
Energy: 0.6192892310366198
Energy: 0.6014734237021466
Energy: 0.606030989100146
Energy: 0.6336578813567265
Energy: 0.6959906378208365
Energy: 0.6470901588547269
Energy: 0.6007380749177179
Energy: 0.6420486253930298
Energy: 0.6104663448818465
Energy: 0.6453629257303388
Energy: 0.6913212991774408
Energy: 0.5755230214205721
Energy: 0.6027359964211563
Energy: 0.669305206394591
Energy: 0.6009830735891439
Energy: 0.5950379514445023
Energy: 0.6609707112732568
Energy: 0.621971603365262
Energy: 0.6437449694492003
Energy: 0.6150659819081041
Energy: 0.5910972708057636
Energy: 0.6512035394783167
Energy: 0.6265722020797625
Energy: 0.6040264765851604
Energy: 0.6304515419216205
Energy: 0.6104367813508953
Energy: 0.5813153375617474
Energy: 0.6151534353535756
Energy: 0.5753319342322236
Energy: 0.6082661894453075
Energy: 0.5826569621094988
Energy: 0.5721677020101555
Energy: 0.6299370960429403
Energy: 0.5998346613065474
Energy: 0.5755907983752658
Energy: 0.6135865354686928
Energy: 0.6034722152957226
Energy: 0.579846420513045
Energy: 0.6227978143897712
Energy: 0.5906979307640385
Energy: 0.6340080863054072
Energy: 0.6846863270929356
Energy: 0.6277736526932565
Energy: 0.6239294996109579
Energy: 0.6713705014063227
Energy: 0.6244561324334057
Energy: 0.580939276660221
Energy: 0.6696627255144113
Energy: 0.6546329070100556
Energy: 0.577688810522
Energy: 0.6485855185202946
Energy: 0.6488103943271425
Energy: 0.608393146732502
Energy: 0.6055988354873143
Energy: 0.5960882951820411
Energy: 0.6177831877052081
Energy: 0.6100576865770035
Energy: 0.6350041199194175
Energy: 0.6264246148970023
Energy: 0.6223829462501066
Energy: 0.6055248086399673
Energy: 0.6322608131035453
Energy: 0.6110261639108706
Energy: 0.6365353339660758
Energy: 0.5931613495838226
Energy: 0.5991620046873425
Energy: 0.6000966818393646
Energy: 0.5894705998509641
Energy: 0.585155378705204
Energy: 0.5911115499220028
Energy: 0.5878563274591387
Energy: 0.6211818097274571
Energy: 0.6123525772572526
Energy: 0.6082111399374329
Energy: 0.5825182920561405
Energy: 0.59148669017787
Energy: 0.6638257269685559
Energy: 0.6226101452374848
Energy: 0.6151044001156697
Energy: 0.6593745203355248
Energy: 0.6339234533220988
Energy: 0.6150585255698323
Energy: 0.6269062608027774
Energy: 0.6089092929751841
Energy: 0.6097974678284948
Energy: 0.5986976433566913
Energy: 0.5775649209218774
Energy: 0.6217351738718
Energy: 0.602192777832247
Energy: 0.639886234097884
Energy: 0.6248629942962343
Energy: 0.6390580522939816
Energy: 0.6030282768777724
Energy: 0.6400446652648308
Energy: 0.6202982025210896
Energy: 0.6344571831718147
Energy: 0.6139517065973775
Energy: 0.6002479035411745
Energy: 0.6140677966628397
Energy: 0.6052441136954207
Energy: 0.6249091908417562
Energy: 0.6100521609632605
Energy: 0.6205363709129607
Energy: 0.6361210947006751
Energy: 0.5809095416171326
Energy: 0.5920507758681023

minimum gb energy = 0.5653706413695614 eV
minimum distance =  2.60553311198104 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 0.8557192338696596
Energy: 0.7055243387951099
Energy: 0.853617461057976
Energy: 0.7850462955891021
Energy: 1.0179057760166619
Energy: 0.8894222198971808
Energy: 0.6777709360015087
Energy: 0.6124919640551897
Energy: 0.638055349534598
Energy: 0.6919561997373607
Energy: 0.6047195305731435
Energy: 0.6426234438322238
Energy: 0.6219284615125524
Energy: 0.5972490604053978
Energy: 0.6530642833311063
Energy: 0.6091943837109357
Energy: 0.6156776419212421
Energy: 0.670702074260915
Energy: 0.5947319705178449
Energy: 0.6255510799850933
Energy: 0.6223913494375051
Energy: 0.6027725737149601
Energy: 0.6229981578035764
Energy: 0.6211935506637868
Energy: 0.580357721295122
Energy: 0.622595460992168
Energy: 0.6398802797519483
Energy: 0.5766577433818885
Energy: 0.6157500976702244
Energy: 0.6281112470950513
Energy: 0.6562946173751393
Energy: 0.6576762340627276
Energy: 0.6353791816171174
Energy: 0.661113624256129
Energy: 0.6803046624872396
Energy: 0.6328903315346713
Energy: 0.6547583433005503
Energy: 0.707194628024086
Energy: 0.7000526580856186
Energy: 0.6941536031052029
Energy: 0.8070178605056961
Energy: 0.7240445587340734
Energy: 0.6000503412395
Energy: 0.6316331011006172
Energy: 0.6556347308278913
Energy: 0.594508080790946
Energy: 0.644628675222304
Energy: 0.6434722780438072
Energy: 0.5838214233676069
Energy: 0.6306759071930841
Energy: 0.6426148682965096
Energy: 0.5860447038785254
Energy: 0.625269016433048
Energy: 0.6215217755816891
Energy: 0.5987504641435516
Energy: 0.6062689502247258
Energy: 0.623520400224671
Energy: 0.5882336429018601
Energy: 0.6086215678756668
Energy: 0.6188401419425784
Energy: 0.60246177872658
Energy: 0.7059436848034282
Energy: 0.6220717510937491
Energy: 0.6288752179005808
Energy: 0.7238609618196743
Energy: 0.6219945551789563
Energy: 0.6330616540137699
Energy: 0.6474160568475119
Energy: 0.6194006000507039
Energy: 0.6269611834142265
Energy: 0.6480791566788949
Energy: 0.6206101251327661
Energy: 0.746417479099751
Energy: 0.6606217115611073
Energy: 0.6163575485153188
Energy: 0.7543916367223585
Energy: 0.6228864697745007
Energy: 0.6552792486984639
Energy: 0.6455267083429092
Energy: 0.6158833586162805
Energy: 0.6209462853816838
Energy: 0.6420773422047912
Energy: 0.5935683283567037
Energy: 0.6474536884622019
Energy: 0.615990992633388
Energy: 0.5773657527761863
Energy: 0.598487493485739
Energy: 0.6101473143347136
Energy: 0.5767795410254937
Energy: 0.6150036540516164
Energy: 0.6020776881372455
Energy: 0.6208336037025778
Energy: 0.6169187170858847
Energy: 0.6071275503095925
Energy: 0.580187433150206
Energy: 0.6199463714930415
Energy: 0.6938192152569036
Energy: 0.6149808524802122
Energy: 0.6436325435871323
Energy: 0.708040936256934
Energy: 0.6145633943113685
Energy: 0.6437558597281247
Energy: 0.6213642339699893
Energy: 0.6206960378356764
Energy: 0.610214628311878
Energy: 0.633484813365136
Energy: 0.6153512266645689
Energy: 0.6147654387176503
Energy: 0.6131141434362244
Energy: 0.6511585818895913
Energy: 0.6391390437980122
Energy: 0.6091810264837744
Energy: 0.6076395332663406
Energy: 0.6245986765205965
Energy: 0.5798621504082021
Energy: 0.6485518885709914
Energy: 0.6325396260963575
Energy: 0.5868351841227628
Energy: 0.6491787267022836
Energy: 0.6388296357277468
Energy: 0.5714589964387373
Energy: 0.6150747661019084
Energy: 0.611451365673177
Energy: 0.5744343880908757
Energy: 0.6077403741713859
Energy: 0.6198019629474983
Energy: 0.5765792058846465
Energy: 0.6218822715139445
Energy: 0.6160472954374236
Energy: 0.5707451917850833
Energy: 0.6261202352242728
Energy: 0.6212483737622465
Energy: 0.6000336375887636
Energy: 0.6407621433766599
Energy: 0.6351842076444044
Energy: 0.6172540887736659
Energy: 0.603964454649251
Energy: 0.6318989237759733
Energy: 0.6070315357355194
Energy: 0.6474440771699307
Energy: 0.6282472908656311
Energy: 0.6183529629633034
Energy: 0.6363213314449999
Energy: 0.6233889945448694
Energy: 0.6269356972327418
Energy: 0.643639865501681
Energy: 0.6177587693522466
Energy: 0.6207284487308392
Energy: 0.6321894043667586
Energy: 0.6348535876196605
Energy: 0.6422706201460269
Energy: 0.6002231354301709
Energy: 0.6205680512459306
Energy: 0.6468873898648999
Energy: 0.5904270128256308
Energy: 0.6357303854854999
Energy: 0.5922777873963117
Energy: 0.6039900480909666
Energy: 0.6248778282006954
Energy: 0.5938544087530795
Energy: 0.5848498121478163
Energy: 0.6175823828454206
Energy: 0.6587121364569218
Energy: 0.6098337445959808
Energy: 0.6167190999777918
Energy: 0.6526066608071328
Energy: 0.6068877950831428
Energy: 0.6299466230249378
Energy: 0.65146983991842
Energy: 0.6215962465371827
Energy: 0.6520182724243954
Energy: 0.6316834807483496
Energy: 0.6031268537099398
Energy: 0.6302886161306769

minimum gb energy = 0.5707451917850833 eV
minimum distance =  2.56317062103625 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 0.7865100197526357
Energy: 0.9282024894197526
Energy: 0.7628475967986577
Energy: 0.7921013027536924
Energy: 0.926338732105316
Energy: 0.7872811896604593
Energy: 0.6724044181561071
Energy: 0.6347026764799703
Energy: 0.6240569672061397
Energy: 0.6814106168701455
Energy: 0.6277360330450299
Energy: 0.6311829029303915
Energy: 0.6185149594647671
Energy: 0.6287164217778286
Energy: 0.5899890282594871
Energy: 0.6246850851713168
Energy: 0.5418820783673515
Energy: 0.6635355755054368
Energy: 0.6012866050807116
Energy: 0.6107724980717667
Energy: 0.6189446782496932
Energy: 0.6011225728981591
Energy: 0.6050705190027441
Energy: 0.6182984721138858
Energy: 0.5438251145305436
Energy: 0.6110554848307466
Energy: 0.6636845841811472
Energy: 0.5508886711878108
Energy: 0.6199128112955974
Energy: 0.6038129945330039
Energy: 0.6221078755820392
Energy: 0.649452863613059
Energy: 0.6204577773631264
Energy: 0.6000088858105862
Energy: 0.6773451109182875
Energy: 0.6232328038338646
Energy: 0.6039382479662206
Energy: 0.5903729729547185
Energy: 0.6297645681102455
Energy: 0.636693000033848
Energy: 0.6244504214326863
Energy: 0.6206888384851588
Energy: 0.6585881195344121
Energy: 0.6650782107274923
Energy: 0.6454180637551702
Energy: 0.6406654765910444
Energy: 0.6387282574144202
Energy: 0.6444883491536655
Energy: 0.5632136704069917
Energy: 0.6178404284333237
Energy: 0.6045215927408487
Energy: 0.5472161105752729
Energy: 0.6049352324700894
Energy: 0.5762944412538418
Energy: 0.5594243020391759
Energy: 0.617586708303713
Energy: 0.6288959115429315
Energy: 0.5703821553901988
Energy: 0.61589107074943
Energy: 0.6267149247454438
Energy: 0.659378090144564
Energy: 0.7091526698076954
Energy: 0.5403287067046209
Energy: 0.6046616103381119
Energy: 0.774894559776511
Energy: 0.6275700554680973
Energy: 0.6221856381162285
Energy: 0.6266686852190649
Energy: 0.6179876529802864
Energy: 0.615476285262515
Energy: 0.6290779553335454
Energy: 0.6163789591922121
Energy: 0.6457235934392508
Energy: 0.6275104492655913
Energy: 0.6593036346811747
Energy: 0.6614122247506393
Energy: 0.6222586451741472
Energy: 0.6269168067258257
Energy: 0.6049228338373285
Energy: 0.5984344484039275
Energy: 0.6101544281862566
Energy: 0.6301911362008356
Energy: 0.5991367414888197
Energy: 0.6175189131992272
Energy: 0.5909211149405197
Energy: 0.55057191511986
Energy: 0.568579022297867
Energy: 0.5915426537947243
Energy: 0.5447001576182046
Energy: 0.6264615101671017
Energy: 0.6600384584063814
Energy: 0.6163604878983605
Energy: 0.6389338358956277
Energy: 0.6773827472417611
Energy: 0.5592948909148748
Energy: 0.6207129288636359
Energy: 0.7297534589899277
Energy: 0.6706098113161603
Energy: 0.6477778546340023
Energy: 0.7469660596031255
Energy: 0.656029886180906
Energy: 0.6675574573470134
Energy: 0.6280195282547257
Energy: 0.5956383802092461
Energy: 0.6041497914793382
Energy: 0.6425886129481256
Energy: 0.5909444014559143
Energy: 0.6264349458875599
Energy: 0.6263648416884614
Energy: 0.606524128149241
Energy: 0.6332291899445762
Energy: 0.609958482345381
Energy: 0.609475430960506
Energy: 0.6161999151721756
Energy: 0.5898888881929524
Energy: 0.6269022427707598
Energy: 0.6203654122880615
Energy: 0.5867656462189326
Energy: 0.6114378061211205
Energy: 0.6219974975707491
Energy: 0.5579176851684131
Energy: 0.6087970150181848
Energy: 0.6143518171083225
Energy: 0.5507344296800225
Energy: 0.5913684260555134
Energy: 0.6215144667411586
Energy: 0.5621693664627792
Energy: 0.6151459367143769
Energy: 0.6213193607907225
Energy: 0.5770183474791134
Energy: 0.6564985444891311
Energy: 0.622304060689577
Energy: 0.6009019578260844
Energy: 0.654311214351366
Energy: 0.6819301886453426
Energy: 0.6099852355648978
Energy: 0.5896720030085113
Energy: 0.640331018531085
Energy: 0.6313675249737426
Energy: 0.6377155667773308
Energy: 0.6257743219874937
Energy: 0.590027762717496
Energy: 0.6555842752360772
Energy: 0.6593439513643207
Energy: 0.5710853786905783
Energy: 0.6315028378842503
Energy: 0.6232039692896556
Energy: 0.5780919035473076
Energy: 0.6222944429311716
Energy: 0.6141038335312331
Energy: 0.546974246480154
Energy: 0.6205275878367837
Energy: 0.614465750823452
Energy: 0.547104690250374
Energy: 0.6036152793976598
Energy: 0.6539672768329428
Energy: 0.5961555800672267
Energy: 0.5318847926623257
Energy: 0.6248787395081005
Energy: 0.5884207080689456
Energy: 0.5260341540677413
Energy: 0.6077175327100441
Energy: 0.6032997822509202
Energy: 0.6198526766207592
Energy: 0.6198732464897915
Energy: 0.6075591291707132
Energy: 0.6274276456322413
Energy: 0.6233607350802571
Energy: 0.6533711297817886
Energy: 0.6249694000086694
Energy: 0.6161157040416124
Energy: 0.6322934524016949
Energy: 0.6142954136684574
Energy: 0.6288748239563898
Energy: 0.6342081751092431
Energy: 0.6215915060182307
Energy: 0.6081310707615822
Energy: 0.6580498103596695
Energy: 0.5881401568798572
Energy: 0.6413328647261267
Energy: 0.5964736756078743
Energy: 0.5597889836350162
Energy: 0.6182363056121943
Energy: 0.5995701400595757
Energy: 0.5514122483434792
Energy: 0.6308259652590216
Energy: 0.6461411496407355
Energy: 0.5761675844439823
Energy: 0.6185096022370034
Energy: 0.6451533793283444
Energy: 0.5740902237192265
Energy: 0.6232193741092606
Energy: 0.7332352892060218
Energy: 0.6061797049575712
Energy: 0.6164282583374403
Energy: 0.748345046495638
Energy: 0.6113902053316199
Energy: 0.6357878810720059

minimum gb energy = 0.5260341540677413 eV
minimum distance =  2.57748321482619 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.011764578549450466
Energy: 0.6312717405103074
Energy: 0.11152298146124964
Energy: 0.01290176214334484
Energy: 0.5930053439307967
Energy: 0.03200796569348172
Energy: 0.32307753411315754
Energy: 0.12451667613995585
Energy: 0.14044054906860962
Energy: 0.11174581223368409
Energy: 0.11808345585445174
Energy: 0.13504997026125654
Energy: 0.7300177296597589
Energy: 0.5742803089103294
Energy: 0.5739644958185578
Energy: 0.720145122537177
Energy: 0.5718020017145383
Energy: 0.5955699291234772
Energy: 0.32307753411315754
Energy: 0.12451667614827311
Energy: 0.14044055537384553
Energy: 0.11174581214735797
Energy: 0.11808328995069375
Energy: 0.13504997024982524

minimum gb energy = 0.011764578549450466 eV
minimum distance =  2.77330672219724 Angstroms
sigma value = 1